1-[6-(6-butyl-3-pyridinyl)-7-methyl-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone

C25H29N3O — CID 161307022

IUPAC1-[6-(6-butyl-3-pyridinyl)-7-methyl-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone
SMILESCCCCc1ccc(-c2cc3c(NC)c(C(=O)CC4CC4)cnc3cc2C)cn1
InChIInChI=1S/C25H29N3O/c1-4-5-6-19-10-9-18(14-27-19)20-13-21-23(11-16(20)2)28-15-22(25(21)26-3)24(29)12-17-7-8-17/h9-11,13-15,17H,4-8,12H2,1-3H3,(H,26,28)
InChIKeyGOIVHYMQZPRCQY-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.97
Rot. Bonds8

About 1-[6-(6-butyl-3-pyridinyl)-7-methyl-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone

1-[6-(6-butyl-3-pyridinyl)-7-methyl-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone (PubChem CID 161307022) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-[6-(6-butyl-3-pyridinyl)-7-methyl-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone.

Molecular Properties

Compound Name1-[6-(6-butyl-3-pyridinyl)-7-methyl-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone
PubChem CID161307022
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name1-[6-(6-butyl-3-pyridinyl)-7-methyl-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone
SMILESCCCCc1ccc(-c2cc3c(NC)c(C(=O)CC4CC4)cnc3cc2C)cn1
InChIInChI=1S/C25H29N3O/c1-4-5-6-19-10-9-18(14-27-19)20-13-21-23(11-16(20)2)28-15-22(25(21)26-3)24(29)12-17-7-8-17/h9-11,13-15,17H,4-8,12H2,1-3H3,(H,26,28)
InChIKeyGOIVHYMQZPRCQY-UHFFFAOYSA-N
XLogP5.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-(6-butyl-3-pyridinyl)-7-methyl-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone with MolForge

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Related Compounds

1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone
CID 161307024
methyl 6-butyl-4-(methylamino)quinoline-3-carboxylate
CID 102614811
N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-fluorobenzamide
CID 159668125
N-cyclopropyl-6-[6-(ethylamino)-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide
CID 156547225
5-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxylic acid
CID 150451439
N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide
CID 160903744
N-butyl-6-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-3-carboxamide
CID 161072637
N-butyl-5-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]pyrazine-2-carboxamide
CID 157418250
2-(9-cyclopropylnonyl)-5-(2-heptyl-1,3-benzodioxol-5-yl)pyridine
CID 19050328
4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-methylbenzamide
CID 159032824
(6-heptyl-3-pyridinyl) 4-ethylcyclohexane-1-carboxylate
CID 174275839
N-[7-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974995

Frequently Asked Questions

What is the IUPAC name of 1-[6-(6-butyl-3-pyridinyl)-7-methyl-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone?
The IUPAC name of 1-[6-(6-butyl-3-pyridinyl)-7-methyl-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone (CID 161307022) is 1-[6-(6-butyl-3-pyridinyl)-7-methyl-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone.
What is the SMILES notation for 1-[6-(6-butyl-3-pyridinyl)-7-methyl-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone?
The canonical SMILES for 1-[6-(6-butyl-3-pyridinyl)-7-methyl-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone is CCCCc1ccc(-c2cc3c(NC)c(C(=O)CC4CC4)cnc3cc2C)cn1.
What is the InChIKey of 1-[6-(6-butyl-3-pyridinyl)-7-methyl-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone?
The InChIKey is GOIVHYMQZPRCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-4-5-6-19-10-9-18(14-27-19)20-13-21-23(11-16(20)2)28-15-22(25(21)26-3)24(29)12-17-7-8-17/h9-11,13-15,17H,4-8,12H2,1-3H3,(H,26,28).
What are the key properties of 1-[6-(6-butyl-3-pyridinyl)-7-methyl-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone?
1-[6-(6-butyl-3-pyridinyl)-7-methyl-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone has a molecular weight of 387.53 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6-butyl-3-pyridinyl)-7-methyl-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone is sourced from PubChem (CID 161307022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).