3-[2-amino-6-(3-methoxy-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide

C25H32N4O2 — CID 53465993

IUPAC3-[2-amino-6-(3-methoxy-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
SMILESCOc1cccnc1-c1ccc2nc(N)c(CC(C)C(=O)NCCC(C)(C)C)cc2c1
InChIInChI=1S/C25H32N4O2/c1-16(24(30)28-12-10-25(2,3)4)13-19-15-18-14-17(8-9-20(18)29-23(19)26)22-21(31-5)7-6-11-27-22/h6-9,11,14-16H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30)
InChIKeyXRTJBGHFZMXONU-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.62
Rot. Bonds7

About 3-[2-amino-6-(3-methoxy-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide

3-[2-amino-6-(3-methoxy-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide (PubChem CID 53465993) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-[2-amino-6-(3-methoxy-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-[2-amino-6-(3-methoxy-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
PubChem CID53465993
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name3-[2-amino-6-(3-methoxy-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
SMILESCOc1cccnc1-c1ccc2nc(N)c(CC(C)C(=O)NCCC(C)(C)C)cc2c1
InChIInChI=1S/C25H32N4O2/c1-16(24(30)28-12-10-25(2,3)4)13-19-15-18-14-17(8-9-20(18)29-23(19)26)22-21(31-5)7-6-11-27-22/h6-9,11,14-16H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30)
InChIKeyXRTJBGHFZMXONU-UHFFFAOYSA-N
XLogP4.62
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[[5-(Methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine
CID 91971389
N-[(1R)-1-[4-[(8-methoxy-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
CID 71583380
N-(2-methoxyethyl)-4-[[6-(3-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzamide
CID 71584401
6-(5-Methoxypyridin-3-yl)-3,4-dihydroquinolin-2(1H)-one
CID 25180298
cyclopentyl-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]methanone
CID 145967821
cyclohexyl-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]methanone
CID 145967913
1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 145969468
2-[(2-methoxyphenyl)amino]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 16194422
7-[[5-(Methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine;trihydrochloride
CID 127034913
N-(2,4-dimethylphenyl)-4-(3-oxo-2-phenyl-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl)butanamide
CID 22553165
N-(2-methoxyethyl)-4-{[6-(6-methoxypyridin-3-yl)-quinazolin-2-yl]amino}benzamide
CID 71584406
N-(2-aminophenyl)-8-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyoctanamide
CID 170554520

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-(3-methoxy-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The IUPAC name of 3-[2-amino-6-(3-methoxy-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide (CID 53465993) is 3-[2-amino-6-(3-methoxy-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide.
What is the SMILES notation for 3-[2-amino-6-(3-methoxy-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The canonical SMILES for 3-[2-amino-6-(3-methoxy-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide is COc1cccnc1-c1ccc2nc(N)c(CC(C)C(=O)NCCC(C)(C)C)cc2c1.
What is the InChIKey of 3-[2-amino-6-(3-methoxy-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The InChIKey is XRTJBGHFZMXONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-16(24(30)28-12-10-25(2,3)4)13-19-15-18-14-17(8-9-20(18)29-23(19)26)22-21(31-5)7-6-11-27-22/h6-9,11,14-16H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30).
What are the key properties of 3-[2-amino-6-(3-methoxy-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide?
3-[2-amino-6-(3-methoxy-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide has a molecular weight of 420.56 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-(3-methoxy-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide is sourced from PubChem (CID 53465993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).