(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide

C101H122Cl4N20O16 — CID 158988480

About (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide

(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide (PubChem CID 158988480) has the molecular formula C101H122Cl4N20O16 and a molecular weight of 2014.02 g/mol. Its IUPAC name is (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide
• PubChem CID: 158988480
• Molecular Formula: C101H122Cl4N20O16
• Molecular Weight: 2014.02 g/mol
• Exact Mass: 2010.81
• IUPAC Name: (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide
• SMILES: CC1(C)CN(CC(=O)N2CCOCC2(C)C)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)N2CCOCC2)C(C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.C[C@@H]1CN(C(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)C[C@H](C)O1.Cc1cncc2[nH]c3c(NC(=O)[C@@H]4COC(C)(C)CN4CC(=O)N4CCOCC4)cc(Cl)cc3c12
• InChI: InChI=1S/2C26H32ClN5O4.C25H30ClN5O4.C24H28ClN5O4/c1-15-10-31(11-16(2)36-15)23(33)12-32-14-26(3,4)35-13-22(32)25(34)30-20-8-17(27)7-19-18-5-6-28-9-21(18)29-24(19)20;1-25(2)15-35-8-7-32(25)22(33)12-31-14-26(3,4)36-13-21(31)24(34)30-19-10-16(27)9-18-17-5-6-28-11-20(17)29-23(18)19;1-15-10-27-11-19-22(15)17-8-16(26)9-18(23(17)28-19)29-24(33)20-13-35-25(2,3)14-31(20)12-21(32)30-4-6-34-7-5-30;1-24(2)14-30(12-21(31)29-5-7-33-8-6-29)20(13-34-24)23(32)28-18-10-15(25)9-17-16-3-4-26-11-19(16)27-22(17)18/h5-9,15-16,22,29H,10-14H2,1-4H3,(H,30,34);5-6,9-11,21,29H,7-8,12-15H2,1-4H3,(H,30,34);8-11,20,28H,4-7,12-14H2,1-3H3,(H,29,33);3-4,9-11,20,27H,5-8,12-14H2,1-2H3,(H,28,32)/t15-,16+,22-;21-;20-;/m000./s1
• InChIKey: JPWFIWGDZYOGSE-HOPKNWSQSA-N
• XLogP: 12.45
• TPSA: 399.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2014.02
LogP ≤ 5	12.45
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide?

The IUPAC name of (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide (CID 158988480) is (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide.

What is the SMILES notation for (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide?

The canonical SMILES for (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide is CC1(C)CN(CC(=O)N2CCOCC2(C)C)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)N2CCOCC2)C(C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.C[C@@H]1CN(C(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)C[C@H](C)O1.Cc1cncc2[nH]c3c(NC(=O)[C@@H]4COC(C)(C)CN4CC(=O)N4CCOCC4)cc(Cl)cc3c12.

What is the InChIKey of (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide?

The InChIKey is JPWFIWGDZYOGSE-HOPKNWSQSA-N. The full InChI is InChI=1S/2C26H32ClN5O4.C25H30ClN5O4.C24H28ClN5O4/c1-15-10-31(11-16(2)36-15)23(33)12-32-14-26(3,4)35-13-22(32)25(34)30-20-8-17(27)7-19-18-5-6-28-9-21(18)29-24(19)20;1-25(2)15-35-8-7-32(25)22(33)12-31-14-26(3,4)36-13-21(31)24(34)30-19-10-16(27)9-18-17-5-6-28-11-20(17)29-23(18)19;1-15-10-27-11-19-22(15)17-8-16(26)9-18(23(17)28-19)29-24(33)20-13-35-25(2,3)14-31(20)12-21(32)30-4-6-34-7-5-30;1-24(2)14-30(12-21(31)29-5-7-33-8-6-29)20(13-34-24)23(32)28-18-10-15(25)9-17-16-3-4-26-11-19(16)27-22(17)18/h5-9,15-16,22,29H,10-14H2,1-4H3,(H,30,34);5-6,9-11,21,29H,7-8,12-15H2,1-4H3,(H,30,34);8-11,20,28H,4-7,12-14H2,1-3H3,(H,29,33);3-4,9-11,20,27H,5-8,12-14H2,1-2H3,(H,28,32)/t15-,16+,22-;21-;20-;/m000./s1.

What are the key properties of (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide?

(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide has a molecular weight of 2014.02 g/mol, XLogP of 12.45, 16 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide is sourced from PubChem (CID 158988480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).