6-[[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]methyl]-N-methylquinoline-3-carboxamide

C24H19F2N5O3 — CID 67477766

IUPAC6-[[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]methyl]-N-methylquinoline-3-carboxamide
SMILESCNC(=O)c1cnc2ccc(CNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2c1
InChIInChI=1S/C24H19F2N5O3/c1-27-22(32)17-8-16-6-14(3-5-21(16)29-10-17)9-30-23(33)18-11-28-13-31(24(18)34)12-15-2-4-19(25)20(26)7-15/h2-8,10-11,13H,9,12H2,1H3,(H,27,32)(H,30,33)
InChIKeyDTCCJLBHSLVPFM-UHFFFAOYSA-N
MW463.44 g/mol
LogP2.41
Rot. Bonds6

About 6-[[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]methyl]-N-methylquinoline-3-carboxamide

6-[[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]methyl]-N-methylquinoline-3-carboxamide (PubChem CID 67477766) has the molecular formula C24H19F2N5O3 and a molecular weight of 463.44 g/mol. Its IUPAC name is 6-[[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]methyl]-N-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-[[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]methyl]-N-methylquinoline-3-carboxamide
PubChem CID67477766
Molecular FormulaC24H19F2N5O3
Molecular Weight463.44 g/mol
Exact Mass463.15
IUPAC Name6-[[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]methyl]-N-methylquinoline-3-carboxamide
SMILESCNC(=O)c1cnc2ccc(CNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2c1
InChIInChI=1S/C24H19F2N5O3/c1-27-22(32)17-8-16-6-14(3-5-21(16)29-10-17)9-30-23(33)18-11-28-13-31(24(18)34)12-15-2-4-19(25)20(26)7-15/h2-8,10-11,13H,9,12H2,1H3,(H,27,32)(H,30,33)
InChIKeyDTCCJLBHSLVPFM-UHFFFAOYSA-N
XLogP2.41
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]methyl]-N-methylquinoline-3-carboxamide with MolForge

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-N-[[3-[(1-ethylpiperidin-4-yl)amino]quinolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide
CID 67477966
1-[(3,4-difluorophenyl)methyl]-N-[[4-(dimethylamino)quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide
CID 67477894
1-[(3,4-difluorophenyl)methyl]-N-[[3-[(1-methylpiperidin-3-yl)amino]quinoxalin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide
CID 67477945
N-[[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carboxamide
CID 67477985
1-[(3,4-difluorophenyl)methyl]-N-[[4-[3-(dimethylamino)propoxy]quinazolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide
CID 67477819
1-[(3,4-difluorophenyl)methyl]-6-oxo-N-[[4-(1H-pyrazol-4-yl)quinazolin-6-yl]methyl]pyrimidine-5-carboxamide
CID 67477873
1-[(3,4-difluorophenyl)methyl]-N-[[4-[3-(dimethylamino)propylamino]quinolin-6-yl]methyl]-6-oxopyrimidine-5-carboxamide
CID 67477954
1-[(3,4-difluorophenyl)methyl]-N-[3-[3-[2-(dimethylamino)ethyl-methylamino]quinoxalin-6-yl]prop-2-ynyl]-6-oxopyrimidine-5-carboxamide
CID 67476171
N-[3-(2-anilinoquinazolin-6-yl)prop-2-ynyl]-1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carboxamide
CID 44621953
1-[(3,4-difluorophenyl)methyl]-6-oxo-N-[3-(4-phenylquinazolin-6-yl)prop-2-ynyl]pyrimidine-5-carboxamide
CID 67476350
N-[3-[2-(cyclopropylamino)quinazolin-6-yl]prop-2-enyl]-1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carboxamide
CID 67186830
1-[(3,4-difluorophenyl)methyl]-N-[3-[4-(ethylamino)-3-nitroquinolin-6-yl]prop-2-ynyl]-6-oxopyrimidine-5-carboxamide
CID 67476284

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]methyl]-N-methylquinoline-3-carboxamide?
The IUPAC name of 6-[[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]methyl]-N-methylquinoline-3-carboxamide (CID 67477766) is 6-[[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]methyl]-N-methylquinoline-3-carboxamide.
What is the SMILES notation for 6-[[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]methyl]-N-methylquinoline-3-carboxamide?
The canonical SMILES for 6-[[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]methyl]-N-methylquinoline-3-carboxamide is CNC(=O)c1cnc2ccc(CNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2c1.
What is the InChIKey of 6-[[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]methyl]-N-methylquinoline-3-carboxamide?
The InChIKey is DTCCJLBHSLVPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O3/c1-27-22(32)17-8-16-6-14(3-5-21(16)29-10-17)9-30-23(33)18-11-28-13-31(24(18)34)12-15-2-4-19(25)20(26)7-15/h2-8,10-11,13H,9,12H2,1H3,(H,27,32)(H,30,33).
What are the key properties of 6-[[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]methyl]-N-methylquinoline-3-carboxamide?
6-[[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]methyl]-N-methylquinoline-3-carboxamide has a molecular weight of 463.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]methyl]-N-methylquinoline-3-carboxamide is sourced from PubChem (CID 67477766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).