1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-[(6-methylquinolin-7-yl)amino]pyrimidin-4-one

C22H18F2N4O2 — CID 134290891

IUPAC1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-[(6-methylquinolin-7-yl)amino]pyrimidin-4-one
SMILESCOc1cn(Cc2ccc(F)c(F)c2)c(Nc2cc3ncccc3cc2C)nc1=O
InChIInChI=1S/C22H18F2N4O2/c1-13-8-15-4-3-7-25-19(15)10-18(13)26-22-27-21(29)20(30-2)12-28(22)11-14-5-6-16(23)17(24)9-14/h3-10,12H,11H2,1-2H3,(H,26,27,29)
InChIKeyYEUCEKMXCZETDV-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.18
Rot. Bonds5

About 1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-[(6-methylquinolin-7-yl)amino]pyrimidin-4-one

1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-[(6-methylquinolin-7-yl)amino]pyrimidin-4-one (PubChem CID 134290891) has the molecular formula C22H18F2N4O2 and a molecular weight of 408.41 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-[(6-methylquinolin-7-yl)amino]pyrimidin-4-one.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-[(6-methylquinolin-7-yl)amino]pyrimidin-4-one
PubChem CID134290891
Molecular FormulaC22H18F2N4O2
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-[(6-methylquinolin-7-yl)amino]pyrimidin-4-one
SMILESCOc1cn(Cc2ccc(F)c(F)c2)c(Nc2cc3ncccc3cc2C)nc1=O
InChIInChI=1S/C22H18F2N4O2/c1-13-8-15-4-3-7-25-19(15)10-18(13)26-22-27-21(29)20(30-2)12-28(22)11-14-5-6-16(23)17(24)9-14/h3-10,12H,11H2,1-2H3,(H,26,27,29)
InChIKeyYEUCEKMXCZETDV-UHFFFAOYSA-N
XLogP4.18
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-[(6-methylquinolin-7-yl)amino]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

(R)-N-(6-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)quinolin-7-yl)acetamide
CID 10072252
QL-Xii-37
CID 73775789
N-[5-[9-(6-amino-3-pyridinyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide
CID 73776061
6-(3-Fluoro-4-pyridinyl)-2-[2-[(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methylpyrimidin-4-one
CID 154632949
N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]pyridin-2-yl]propanamide
CID 155249545
3-(2-morpholino-6-(trifluoromethyl)pyridin-3-yl)-N-(quinolin-7-yl)acrylamide
CID 9802648
1-[(3,4-difluorophenyl)methyl]-6-oxo-N-(3-quinolin-6-ylprop-2-ynyl)pyrimidine-5-carboxamide
CID 67476224
1-[(3,4-difluorophenyl)methyl]-N-[3-[4-[3-(dimethylamino)propyl-methylamino]quinolin-6-yl]prop-2-ynyl]-6-oxopyrimidine-5-carboxamide
CID 67476229
1-[(3,4-difluorophenyl)methyl]-N-[3-[4-(dimethylamino)quinolin-6-yl]prop-2-ynyl]-6-oxopyrimidine-5-carboxamide
CID 67476230
N-[3-[4-(cyclopropylamino)quinolin-6-yl]prop-2-ynyl]-1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carboxamide
CID 67476254
1-[(3,4-difluorophenyl)methyl]-N-[3-[4-[3-(dimethylamino)propylamino]quinolin-6-yl]prop-2-ynyl]-6-oxopyrimidine-5-carboxamide
CID 67476257
1-[(3,4-difluorophenyl)methyl]-N-[3-[4-[2-(dimethylamino)ethylamino]quinolin-6-yl]prop-2-ynyl]-6-oxopyrimidine-5-carboxamide
CID 67476264

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-[(6-methylquinolin-7-yl)amino]pyrimidin-4-one?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-[(6-methylquinolin-7-yl)amino]pyrimidin-4-one (CID 134290891) is 1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-[(6-methylquinolin-7-yl)amino]pyrimidin-4-one.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-[(6-methylquinolin-7-yl)amino]pyrimidin-4-one?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-[(6-methylquinolin-7-yl)amino]pyrimidin-4-one is COc1cn(Cc2ccc(F)c(F)c2)c(Nc2cc3ncccc3cc2C)nc1=O.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-[(6-methylquinolin-7-yl)amino]pyrimidin-4-one?
The InChIKey is YEUCEKMXCZETDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2/c1-13-8-15-4-3-7-25-19(15)10-18(13)26-22-27-21(29)20(30-2)12-28(22)11-14-5-6-16(23)17(24)9-14/h3-10,12H,11H2,1-2H3,(H,26,27,29).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-[(6-methylquinolin-7-yl)amino]pyrimidin-4-one?
1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-[(6-methylquinolin-7-yl)amino]pyrimidin-4-one has a molecular weight of 408.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-5-methoxy-2-[(6-methylquinolin-7-yl)amino]pyrimidin-4-one is sourced from PubChem (CID 134290891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).