1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide

C24H21F3N4O3 — CID 142502806

IUPAC1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
SMILESCN1Cc2ccc(C(=O)NCc3c(F)cc(F)cc3F)cc2N(Cc2cc(C3CC3)no2)C1=O
InChIInChI=1S/C24H21F3N4O3/c1-30-11-15-5-4-14(23(32)28-10-18-19(26)7-16(25)8-20(18)27)6-22(15)31(24(30)33)12-17-9-21(29-34-17)13-2-3-13/h4-9,13H,2-3,10-12H2,1H3,(H,28,32)
InChIKeyWDCCJTPZYJZBTG-UHFFFAOYSA-N
MW470.45 g/mol
LogP4.47
Rot. Bonds6

About 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide

1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide (PubChem CID 142502806) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
PubChem CID142502806
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC Name1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
SMILESCN1Cc2ccc(C(=O)NCc3c(F)cc(F)cc3F)cc2N(Cc2cc(C3CC3)no2)C1=O
InChIInChI=1S/C24H21F3N4O3/c1-30-11-15-5-4-14(23(32)28-10-18-19(26)7-16(25)8-20(18)27)6-22(15)31(24(30)33)12-17-9-21(29-34-17)13-2-3-13/h4-9,13H,2-3,10-12H2,1H3,(H,28,32)
InChIKeyWDCCJTPZYJZBTG-UHFFFAOYSA-N
XLogP4.47
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
CID 142502804
1-[(2,6-difluorophenyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
CID 142502649
1-[(4-fluorophenyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
CID 142502772
1-[(4-amino-2,6-difluorophenyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
CID 146547077
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(6-fluoro-1-benzofuran-2-yl)methyl]-3-methyl-2-oxo-4H-quinazoline-7-carboxamide
CID 146546827
(4S)-1-[(2-fluoro-4-methylphenyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
CID 142502742
(4S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
CID 142502808
1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-N-[[3-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxo-4H-quinazoline-7-carboxamide
CID 146546829
[4-[[(4S)-3,4-dimethyl-2-oxo-7-[(2,4,6-trifluorophenyl)methylcarbamoyl]-4H-quinazolin-1-yl]methyl]-3,5-difluorophenoxy]methyl dihydrogen phosphate
CID 146546730
(4S)-1-[(3-carbamoyl-2,6-difluorophenyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
CID 146546867
1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
CID 146546982
[4-[[3,4-dimethyl-2-oxo-7-[(2,4,6-trifluorophenyl)methylcarbamoyl]-4H-quinazolin-1-yl]methyl]-3,5-difluorophenoxy] methyl hydrogen phosphate
CID 175599603

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide?
The IUPAC name of 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide (CID 142502806) is 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide?
The canonical SMILES for 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide is CN1Cc2ccc(C(=O)NCc3c(F)cc(F)cc3F)cc2N(Cc2cc(C3CC3)no2)C1=O.
What is the InChIKey of 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide?
The InChIKey is WDCCJTPZYJZBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c1-30-11-15-5-4-14(23(32)28-10-18-19(26)7-16(25)8-20(18)27)6-22(15)31(24(30)33)12-17-9-21(29-34-17)13-2-3-13/h4-9,13H,2-3,10-12H2,1H3,(H,28,32).
What are the key properties of 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide?
1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide has a molecular weight of 470.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide is sourced from PubChem (CID 142502806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).