N-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide

C14H15F2N3O — CID 114383383

IUPACN-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC(F)(F)CN)c2ccccc2n1
InChIInChI=1S/C14H15F2N3O/c1-9-6-11(10-4-2-3-5-12(10)19-9)13(20)18-8-14(15,16)7-17/h2-6H,7-8,17H2,1H3,(H,18,20)
InChIKeyCRRCZNWNIVRPMU-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.87
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide

N-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide (PubChem CID 114383383) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide
PubChem CID114383383
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC(F)(F)CN)c2ccccc2n1
InChIInChI=1S/C14H15F2N3O/c1-9-6-11(10-4-2-3-5-12(10)19-9)13(20)18-8-14(15,16)7-17/h2-6H,7-8,17H2,1H3,(H,18,20)
InChIKeyCRRCZNWNIVRPMU-UHFFFAOYSA-N
XLogP1.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide
CID 63193778
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 64672068
methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103879325
methyl 2-iodo-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103493219
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391
N-(5-iodopentyl)-2-methylquinoline-4-carboxamide
CID 107322663
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 18729746
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 107834591
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide
CID 4786592

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide (CID 114383383) is N-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCC(F)(F)CN)c2ccccc2n1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide?
The InChIKey is CRRCZNWNIVRPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-9-6-11(10-4-2-3-5-12(10)19-9)13(20)18-8-14(15,16)7-17/h2-6H,7-8,17H2,1H3,(H,18,20).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide?
N-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide has a molecular weight of 279.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 114383383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).