6-[5-(cyclopropylmethylamino)-3-pyridinyl]-3-ethyl-N-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide

C30H37N7O — CID 123310055

IUPAC6-[5-(cyclopropylmethylamino)-3-pyridinyl]-3-ethyl-N-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
SMILESCCC1=C(C(=O)Nc2ccc(N(C)CCNC)nc2)c2cc(-c3cncc(NCC4CC4)c3)ccc2NC1
InChIInChI=1S/C30H37N7O/c1-4-21-17-34-27-9-7-22(23-13-25(18-32-16-23)33-15-20-5-6-20)14-26(27)29(21)30(38)36-24-8-10-28(35-19-24)37(3)12-11-31-2/h7-10,13-14,16,18-20,31,33-34H,4-6,11-12,15,17H2,1-3H3,(H,36,38)
InChIKeyNCZRNEYGLFAMGG-UHFFFAOYSA-N
MW511.67 g/mol
LogP4.85
Rot. Bonds11

About 6-[5-(cyclopropylmethylamino)-3-pyridinyl]-3-ethyl-N-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide

6-[5-(cyclopropylmethylamino)-3-pyridinyl]-3-ethyl-N-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide (PubChem CID 123310055) has the molecular formula C30H37N7O and a molecular weight of 511.67 g/mol. Its IUPAC name is 6-[5-(cyclopropylmethylamino)-3-pyridinyl]-3-ethyl-N-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide.

Molecular Properties

Compound Name6-[5-(cyclopropylmethylamino)-3-pyridinyl]-3-ethyl-N-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
PubChem CID123310055
Molecular FormulaC30H37N7O
Molecular Weight511.67 g/mol
Exact Mass511.31
IUPAC Name6-[5-(cyclopropylmethylamino)-3-pyridinyl]-3-ethyl-N-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
SMILESCCC1=C(C(=O)Nc2ccc(N(C)CCNC)nc2)c2cc(-c3cncc(NCC4CC4)c3)ccc2NC1
InChIInChI=1S/C30H37N7O/c1-4-21-17-34-27-9-7-22(23-13-25(18-32-16-23)33-15-20-5-6-20)14-26(27)29(21)30(38)36-24-8-10-28(35-19-24)37(3)12-11-31-2/h7-10,13-14,16,18-20,31,33-34H,4-6,11-12,15,17H2,1-3H3,(H,36,38)
InChIKeyNCZRNEYGLFAMGG-UHFFFAOYSA-N
XLogP4.85
TPSA94.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.67
LogP ≤ 54.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[5-(cyclopropylmethylamino)-3-pyridinyl]-3-ethyl-N-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-ethyl-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
CID 123930151
N-(6-cyano-3-pyridinyl)-3-ethyl-6-(5-phenoxy-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide
CID 123874819
6-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-ethyl-N-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
CID 123154269
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144555432
3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide
CID 123997935
3-ethyl-6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
CID 123750176
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144555414
N-[6-[methyl(propyl)amino]-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144555111
5-(cyclopropylmethylamino)-2-methyl-N-(2-methylpyrimidin-5-yl)benzamide
CID 144732154
5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine
CID 43697513
N-(6-cyano-3-pyridinyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450886
6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-methyl-N-(6-phenyl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide
CID 142333845

Frequently Asked Questions

What is the IUPAC name of 6-[5-(cyclopropylmethylamino)-3-pyridinyl]-3-ethyl-N-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide?
The IUPAC name of 6-[5-(cyclopropylmethylamino)-3-pyridinyl]-3-ethyl-N-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide (CID 123310055) is 6-[5-(cyclopropylmethylamino)-3-pyridinyl]-3-ethyl-N-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide.
What is the SMILES notation for 6-[5-(cyclopropylmethylamino)-3-pyridinyl]-3-ethyl-N-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide?
The canonical SMILES for 6-[5-(cyclopropylmethylamino)-3-pyridinyl]-3-ethyl-N-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide is CCC1=C(C(=O)Nc2ccc(N(C)CCNC)nc2)c2cc(-c3cncc(NCC4CC4)c3)ccc2NC1.
What is the InChIKey of 6-[5-(cyclopropylmethylamino)-3-pyridinyl]-3-ethyl-N-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide?
The InChIKey is NCZRNEYGLFAMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O/c1-4-21-17-34-27-9-7-22(23-13-25(18-32-16-23)33-15-20-5-6-20)14-26(27)29(21)30(38)36-24-8-10-28(35-19-24)37(3)12-11-31-2/h7-10,13-14,16,18-20,31,33-34H,4-6,11-12,15,17H2,1-3H3,(H,36,38).
What are the key properties of 6-[5-(cyclopropylmethylamino)-3-pyridinyl]-3-ethyl-N-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide?
6-[5-(cyclopropylmethylamino)-3-pyridinyl]-3-ethyl-N-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide has a molecular weight of 511.67 g/mol, XLogP of 4.85, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(cyclopropylmethylamino)-3-pyridinyl]-3-ethyl-N-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 123310055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).