N-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide

C19H24N4O2 — CID 133388065

IUPACN-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide
SMILESCNC(=O)C(Nc1cc(C(=O)NC2CC2)c2ccccc2n1)C(C)C
InChIInChI=1S/C19H24N4O2/c1-11(2)17(19(25)20-3)23-16-10-14(18(24)21-12-8-9-12)13-6-4-5-7-15(13)22-16/h4-7,10-12,17H,8-9H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyVWNDMRIJKMQVFC-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.31
Rot. Bonds6

About N-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide

N-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide (PubChem CID 133388065) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide
PubChem CID133388065
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide
SMILESCNC(=O)C(Nc1cc(C(=O)NC2CC2)c2ccccc2n1)C(C)C
InChIInChI=1S/C19H24N4O2/c1-11(2)17(19(25)20-3)23-16-10-14(18(24)21-12-8-9-12)13-6-4-5-7-15(13)22-16/h4-7,10-12,17H,8-9H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyVWNDMRIJKMQVFC-UHFFFAOYSA-N
XLogP2.31
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide with MolForge

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Related Compounds

2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid
CID 122058339
N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]quinoline-4-carboxamide
CID 133312066
N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide
CID 15990902
2-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-N-cyclopropylquinoline-4-carboxamide
CID 133445140
2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-cyclopropylquinoline-4-carboxamide
CID 133477494
2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide
CID 133275936
2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 46647045
N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide
CID 115769042
N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide
CID 20854533
2-[(1-chloroisoquinolin-3-yl)amino]-N,3-dimethylbutanamide
CID 133388133
2-(propan-2-ylamino)quinoline-4-carboxylic acid
CID 43154773
cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678711

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide (CID 133388065) is N-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide is CNC(=O)C(Nc1cc(C(=O)NC2CC2)c2ccccc2n1)C(C)C.
What is the InChIKey of N-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide?
The InChIKey is VWNDMRIJKMQVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-11(2)17(19(25)20-3)23-16-10-14(18(24)21-12-8-9-12)13-6-4-5-7-15(13)22-16/h4-7,10-12,17H,8-9H2,1-3H3,(H,20,25)(H,21,24)(H,22,23).
What are the key properties of N-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide?
N-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide is sourced from PubChem (CID 133388065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).