N-[2-(diethylamino)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxamide;N',N'-diethylethane-1,2-diamine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid

C64H68N14O7 — CID 157309508

About N-[2-(diethylamino)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxamide;N',N'-diethylethane-1,2-diamine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid

N-[2-(diethylamino)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxamide;N',N'-diethylethane-1,2-diamine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid (PubChem CID 157309508) has the molecular formula C64H68N14O7 and a molecular weight of 1145.34 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxamide;N',N'-diethylethane-1,2-diamine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxamide;N',N'-diethylethane-1,2-diamine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid
• PubChem CID: 157309508
• Molecular Formula: C64H68N14O7
• Molecular Weight: 1145.34 g/mol
• Exact Mass: 1144.54
• IUPAC Name: N-[2-(diethylamino)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxamide;N',N'-diethylethane-1,2-diamine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid
• SMILES: CCN(CC)CCN.CCN(CC)CCNC(=O)c1nc(-c2ccnc3ccccc23)c2c(n1)[nH]c1cc(-c3c(C)noc3C)c(OC)cc12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C(=O)O)nc(-c3ccnc4ccccc34)c12
• InChI: InChI=1S/C32H33N7O3.C26H19N5O4.C6H16N2/c1-6-39(7-2)15-14-34-32(40)31-36-29(21-12-13-33-24-11-9-8-10-20(21)24)28-22-17-26(41-5)23(16-25(22)35-30(28)37-31)27-18(3)38-42-19(27)4;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;1-3-8(4-2)6-5-7/h8-13,16-17H,6-7,14-15H2,1-5H3,(H,34,40)(H,35,36,37);4-11H,1-3H3,(H,32,33)(H,28,29,30);3-7H2,1-2H3
• InChIKey: BCWJQZRGQTXAQR-UHFFFAOYSA-N
• XLogP: 11.27
• TPSA: 278.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1145.34
LogP ≤ 5	11.27
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxamide;N',N'-diethylethane-1,2-diamine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid?

The IUPAC name of N-[2-(diethylamino)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxamide;N',N'-diethylethane-1,2-diamine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid (CID 157309508) is N-[2-(diethylamino)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxamide;N',N'-diethylethane-1,2-diamine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxamide;N',N'-diethylethane-1,2-diamine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid?

The canonical SMILES for N-[2-(diethylamino)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxamide;N',N'-diethylethane-1,2-diamine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid is CCN(CC)CCN.CCN(CC)CCNC(=O)c1nc(-c2ccnc3ccccc23)c2c(n1)[nH]c1cc(-c3c(C)noc3C)c(OC)cc12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C(=O)O)nc(-c3ccnc4ccccc34)c12.

What is the InChIKey of N-[2-(diethylamino)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxamide;N',N'-diethylethane-1,2-diamine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid?

The InChIKey is BCWJQZRGQTXAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7O3.C26H19N5O4.C6H16N2/c1-6-39(7-2)15-14-34-32(40)31-36-29(21-12-13-33-24-11-9-8-10-20(21)24)28-22-17-26(41-5)23(16-25(22)35-30(28)37-31)27-18(3)38-42-19(27)4;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;1-3-8(4-2)6-5-7/h8-13,16-17H,6-7,14-15H2,1-5H3,(H,34,40)(H,35,36,37);4-11H,1-3H3,(H,32,33)(H,28,29,30);3-7H2,1-2H3.

What are the key properties of N-[2-(diethylamino)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxamide;N',N'-diethylethane-1,2-diamine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid?

N-[2-(diethylamino)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxamide;N',N'-diethylethane-1,2-diamine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid has a molecular weight of 1145.34 g/mol, XLogP of 11.27, 17 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxamide;N',N'-diethylethane-1,2-diamine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid is sourced from PubChem (CID 157309508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).