(3R)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide

C26H23F2N5O3 — CID 170382513

IUPAC(3R)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
SMILESCc1cc(F)c(NC(=O)N2OCC[C@@H]2c2ccccc2)cc1Nc1ccc2ncn(C)c(=O)c2c1F
InChIInChI=1S/C26H23F2N5O3/c1-15-12-17(27)21(31-26(35)33-22(10-11-36-33)16-6-4-3-5-7-16)13-20(15)30-19-9-8-18-23(24(19)28)25(34)32(2)14-29-18/h3-9,12-14,22,30H,10-11H2,1-2H3,(H,31,35)/t22-/m1/s1
InChIKeySGVBNWSLUDEBTO-JOCHJYFZSA-N
MW491.50 g/mol
LogP5.17
Rot. Bonds4

About (3R)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide

(3R)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide (PubChem CID 170382513) has the molecular formula C26H23F2N5O3 and a molecular weight of 491.50 g/mol. Its IUPAC name is (3R)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
PubChem CID170382513
Molecular FormulaC26H23F2N5O3
Molecular Weight491.50 g/mol
Exact Mass491.18
IUPAC Name(3R)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
SMILESCc1cc(F)c(NC(=O)N2OCC[C@@H]2c2ccccc2)cc1Nc1ccc2ncn(C)c(=O)c2c1F
InChIInChI=1S/C26H23F2N5O3/c1-15-12-17(27)21(31-26(35)33-22(10-11-36-33)16-6-4-3-5-7-16)13-20(15)30-19-9-8-18-23(24(19)28)25(34)32(2)14-29-18/h3-9,12-14,22,30H,10-11H2,1-2H3,(H,31,35)/t22-/m1/s1
InChIKeySGVBNWSLUDEBTO-JOCHJYFZSA-N
XLogP5.17
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.50
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea
CID 155920150
1-(3,3-Dimethylbutyl)-3-[2-fluoro-4-methyl-5-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]urea
CID 166626191
N-{4-Methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}-N-'[3-(trifluoromethyl)phenyl]urea
CID 16750543
1-[4-Methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24770986
1-[4-Fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]urea
CID 68941042
1-[4-Methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 68998742
N-[4-methyl-3-[4-oxo-6-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 158287487
5-(3,4-difluorophenyl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-2-(trifluoromethyl)-3H-pyrrole-4-carboxamide
CID 159351817
5-(4-fluorophenyl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-2-(trifluoromethyl)-3H-pyrrole-4-carboxamide
CID 161441230
(3R)-N-[3-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
CID 170382450
(3R)-N-[5-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2-fluoro-4-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
CID 170382545
(3R)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxamide
CID 170382546

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?
The IUPAC name of (3R)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide (CID 170382513) is (3R)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide.
What is the SMILES notation for (3R)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?
The canonical SMILES for (3R)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide is Cc1cc(F)c(NC(=O)N2OCC[C@@H]2c2ccccc2)cc1Nc1ccc2ncn(C)c(=O)c2c1F.
What is the InChIKey of (3R)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?
The InChIKey is SGVBNWSLUDEBTO-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H23F2N5O3/c1-15-12-17(27)21(31-26(35)33-22(10-11-36-33)16-6-4-3-5-7-16)13-20(15)30-19-9-8-18-23(24(19)28)25(34)32(2)14-29-18/h3-9,12-14,22,30H,10-11H2,1-2H3,(H,31,35)/t22-/m1/s1.
What are the key properties of (3R)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?
(3R)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide has a molecular weight of 491.50 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide is sourced from PubChem (CID 170382513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).