1-[(3-fluoro-2-methyl-4-pyridinyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide

C25H22F4N4O2 — CID 142502672

IUPAC1-[(3-fluoro-2-methyl-4-pyridinyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
SMILESCc1nccc(CN2C(=O)N(C)C(C)c3ccc(C(=O)NCc4c(F)cc(F)cc4F)cc32)c1F
InChIInChI=1S/C25H22F4N4O2/c1-13-23(29)16(6-7-30-13)12-33-22-8-15(4-5-18(22)14(2)32(3)25(33)35)24(34)31-11-19-20(27)9-17(26)10-21(19)28/h4-10,14H,11-12H2,1-3H3,(H,31,34)
InChIKeyLMLUDKXRQHQKGR-UHFFFAOYSA-N
MW486.47 g/mol
LogP5.01
Rot. Bonds5

About 1-[(3-fluoro-2-methyl-4-pyridinyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide

1-[(3-fluoro-2-methyl-4-pyridinyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide (PubChem CID 142502672) has the molecular formula C25H22F4N4O2 and a molecular weight of 486.47 g/mol. Its IUPAC name is 1-[(3-fluoro-2-methyl-4-pyridinyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name1-[(3-fluoro-2-methyl-4-pyridinyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
PubChem CID142502672
Molecular FormulaC25H22F4N4O2
Molecular Weight486.47 g/mol
Exact Mass486.17
IUPAC Name1-[(3-fluoro-2-methyl-4-pyridinyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
SMILESCc1nccc(CN2C(=O)N(C)C(C)c3ccc(C(=O)NCc4c(F)cc(F)cc4F)cc32)c1F
InChIInChI=1S/C25H22F4N4O2/c1-13-23(29)16(6-7-30-13)12-33-22-8-15(4-5-18(22)14(2)32(3)25(33)35)24(34)31-11-19-20(27)9-17(26)10-21(19)28/h4-10,14H,11-12H2,1-3H3,(H,31,34)
InChIKeyLMLUDKXRQHQKGR-UHFFFAOYSA-N
XLogP5.01
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-fluoro-2-methyl-4-pyridinyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide with MolForge

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Related Compounds

2-fluoro-9-oxo-N-[2-(pyridin-3-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748022
9-oxo-N-[2-(pyridin-3-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748020
2-fluoro-9-oxo-N-[2-(pyridin-2-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748525
9-oxo-N-[2-(pyridin-4-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748637
Bms-566419
CID 9913339
4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-N-(3-(trifluoro methyl) phenyl) benzamide (A2)
CID 11316850
N-(2-aminophenyl)-4-(3-fluoro-5-{[4-(propan-2-yl)piperazin-1-yl]methyl}pyridin-2-yl)benzamide
CID 11590444
2-fluoro-N-[2-(6-methylpyridin-3-yl)propan-2-yl]-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748144
N,N-diethyl-4-(1-piperazinyl(8-quinolinyl)methyl)benzamide
CID 9801260
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-4-ylmethanone
CID 2874798
9-oxo-N-[2-(pyridin-2-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748019
N-{2-[2-(dimethylamino)pyridin-4-yl]propan-2-yl}-2-fluoro-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748145

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2-methyl-4-pyridinyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide?
The IUPAC name of 1-[(3-fluoro-2-methyl-4-pyridinyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide (CID 142502672) is 1-[(3-fluoro-2-methyl-4-pyridinyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide.
What is the SMILES notation for 1-[(3-fluoro-2-methyl-4-pyridinyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide?
The canonical SMILES for 1-[(3-fluoro-2-methyl-4-pyridinyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide is Cc1nccc(CN2C(=O)N(C)C(C)c3ccc(C(=O)NCc4c(F)cc(F)cc4F)cc32)c1F.
What is the InChIKey of 1-[(3-fluoro-2-methyl-4-pyridinyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide?
The InChIKey is LMLUDKXRQHQKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N4O2/c1-13-23(29)16(6-7-30-13)12-33-22-8-15(4-5-18(22)14(2)32(3)25(33)35)24(34)31-11-19-20(27)9-17(26)10-21(19)28/h4-10,14H,11-12H2,1-3H3,(H,31,34).
What are the key properties of 1-[(3-fluoro-2-methyl-4-pyridinyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide?
1-[(3-fluoro-2-methyl-4-pyridinyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide has a molecular weight of 486.47 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2-methyl-4-pyridinyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide is sourced from PubChem (CID 142502672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).