(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)morpholine-3-carboxamide

C24H29ClN6O3 — CID 11569297

IUPAC(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)morpholine-3-carboxamide
SMILESCC1(C)CN(CC(=O)N2CCNCC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1
InChIInChI=1S/C24H29ClN6O3/c1-24(2)14-31(12-21(32)30-7-5-26-6-8-30)20(13-34-24)23(33)29-18-10-15(25)9-17-16-3-4-27-11-19(16)28-22(17)18/h3-4,9-11,20,26,28H,5-8,12-14H2,1-2H3,(H,29,33)/t20-/m0/s1
InChIKeyGECQRHHVUQJABU-FQEVSTJZSA-N
MW484.99 g/mol
LogP2.22
Rot. Bonds4

About (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)morpholine-3-carboxamide

(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)morpholine-3-carboxamide (PubChem CID 11569297) has the molecular formula C24H29ClN6O3 and a molecular weight of 484.99 g/mol. Its IUPAC name is (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)morpholine-3-carboxamide
PubChem CID11569297
Molecular FormulaC24H29ClN6O3
Molecular Weight484.99 g/mol
Exact Mass484.20
IUPAC Name(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)morpholine-3-carboxamide
SMILESCC1(C)CN(CC(=O)N2CCNCC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1
InChIInChI=1S/C24H29ClN6O3/c1-24(2)14-31(12-21(32)30-7-5-26-6-8-30)20(13-34-24)23(33)29-18-10-15(25)9-17-16-3-4-27-11-19(16)28-22(17)18/h3-4,9-11,20,26,28H,5-8,12-14H2,1-2H3,(H,29,33)/t20-/m0/s1
InChIKeyGECQRHHVUQJABU-FQEVSTJZSA-N
XLogP2.22
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.99
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)morpholine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)morpholine-3-carboxamide?
The IUPAC name of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)morpholine-3-carboxamide (CID 11569297) is (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)morpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)morpholine-3-carboxamide?
The canonical SMILES for (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)morpholine-3-carboxamide is CC1(C)CN(CC(=O)N2CCNCC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.
What is the InChIKey of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)morpholine-3-carboxamide?
The InChIKey is GECQRHHVUQJABU-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H29ClN6O3/c1-24(2)14-31(12-21(32)30-7-5-26-6-8-30)20(13-34-24)23(33)29-18-10-15(25)9-17-16-3-4-27-11-19(16)28-22(17)18/h3-4,9-11,20,26,28H,5-8,12-14H2,1-2H3,(H,29,33)/t20-/m0/s1.
What are the key properties of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)morpholine-3-carboxamide?
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)morpholine-3-carboxamide has a molecular weight of 484.99 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)morpholine-3-carboxamide is sourced from PubChem (CID 11569297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).