7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid;[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-morpholin-4-ylmethanone;morpholine

C60H54N12O9 — CID 158190877

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid;[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-morpholin-4-ylmethanone;morpholine

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid;[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-morpholin-4-ylmethanone;morpholine (PubChem CID 158190877) has the molecular formula C60H54N12O9 and a molecular weight of 1087.17 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid;[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-morpholin-4-ylmethanone;morpholine.

Molecular Properties

• Compound Name: 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid;[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-morpholin-4-ylmethanone;morpholine
• PubChem CID: 158190877
• Molecular Formula: C60H54N12O9
• Molecular Weight: 1087.17 g/mol
• Exact Mass: 1086.41
• IUPAC Name: 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid;[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-morpholin-4-ylmethanone;morpholine
• SMILES: C1COCCN1.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C(=O)N3CCOCC3)nc(-c3ccnc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C(=O)O)nc(-c3ccnc4ccccc34)c12
• InChI: InChI=1S/C30H26N6O4.C26H19N5O4.C4H9NO/c1-16-25(17(2)40-35-16)21-14-23-20(15-24(21)38-3)26-27(19-8-9-31-22-7-5-4-6-18(19)22)33-29(34-28(26)32-23)30(37)36-10-12-39-13-11-36;1-12-21(13(2)35-31-12)17-10-19-16(11-20(17)34-3)22-23(29-25(26(32)33)30-24(22)28-19)15-8-9-27-18-7-5-4-6-14(15)18;1-3-6-4-2-5-1/h4-9,14-15H,10-13H2,1-3H3,(H,32,33,34);4-11H,1-3H3,(H,32,33)(H,28,29,30);5H,1-4H2
• InChIKey: FZSTXHWNKAZKOQ-UHFFFAOYSA-N
• XLogP: 9.99
• TPSA: 267.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1087.17
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid;[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-morpholin-4-ylmethanone;morpholine?

The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid;[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-morpholin-4-ylmethanone;morpholine (CID 158190877) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid;[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-morpholin-4-ylmethanone;morpholine.

What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid;[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-morpholin-4-ylmethanone;morpholine?

The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid;[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-morpholin-4-ylmethanone;morpholine is C1COCCN1.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C(=O)N3CCOCC3)nc(-c3ccnc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C(=O)O)nc(-c3ccnc4ccccc34)c12.

What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid;[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-morpholin-4-ylmethanone;morpholine?

The InChIKey is FZSTXHWNKAZKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O4.C26H19N5O4.C4H9NO/c1-16-25(17(2)40-35-16)21-14-23-20(15-24(21)38-3)26-27(19-8-9-31-22-7-5-4-6-18(19)22)33-29(34-28(26)32-23)30(37)36-10-12-39-13-11-36;1-12-21(13(2)35-31-12)17-10-19-16(11-20(17)34-3)22-23(29-25(26(32)33)30-24(22)28-19)15-8-9-27-18-7-5-4-6-14(15)18;1-3-6-4-2-5-1/h4-9,14-15H,10-13H2,1-3H3,(H,32,33,34);4-11H,1-3H3,(H,32,33)(H,28,29,30);5H,1-4H2.

What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid;[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-morpholin-4-ylmethanone;morpholine?

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid;[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-morpholin-4-ylmethanone;morpholine has a molecular weight of 1087.17 g/mol, XLogP of 9.99, 8 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid;[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-morpholin-4-ylmethanone;morpholine is sourced from PubChem (CID 158190877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).