(2R)-4-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C20H18N4O4 — CID 51951421

IUPAC(2R)-4-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCc1ccc2ncn(CC(=O)N3C[C@H](C(N)=O)Oc4ccccc43)c(=O)c2c1
InChIInChI=1S/C20H18N4O4/c1-12-6-7-14-13(8-12)20(27)23(11-22-14)10-18(25)24-9-17(19(21)26)28-16-5-3-2-4-15(16)24/h2-8,11,17H,9-10H2,1H3,(H2,21,26)/t17-/m1/s1
InChIKeyFRLAYQWXACYTCF-QGZVFWFLSA-N
MW378.39 g/mol
LogP0.98
Rot. Bonds3

About (2R)-4-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

(2R)-4-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 51951421) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is (2R)-4-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID51951421
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name(2R)-4-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCc1ccc2ncn(CC(=O)N3C[C@H](C(N)=O)Oc4ccccc43)c(=O)c2c1
InChIInChI=1S/C20H18N4O4/c1-12-6-7-14-13(8-12)20(27)23(11-22-14)10-18(25)24-9-17(19(21)26)28-16-5-3-2-4-15(16)24/h2-8,11,17H,9-10H2,1H3,(H2,21,26)/t17-/m1/s1
InChIKeyFRLAYQWXACYTCF-QGZVFWFLSA-N
XLogP0.98
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-4-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one
CID 40789776
6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one
CID 51951439
(2S)-4-[2-(4-carbamoyl-1-oxophthalazin-2-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 41022772
N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46484188
(2S)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8023719
4-[2-(ethylamino)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 60703361
6-bromo-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one
CID 51196186
6-chloro-3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one
CID 40987002
4-oxo-3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]phthalazine-1-carboxamide
CID 41217382
4-[2-(propylamino)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 60703399
(2R)-4-[2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 36578142
3-ethyl-6-methylquinazolin-4-one
CID 70641598

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of (2R)-4-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 51951421) is (2R)-4-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for (2R)-4-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for (2R)-4-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is Cc1ccc2ncn(CC(=O)N3C[C@H](C(N)=O)Oc4ccccc43)c(=O)c2c1.
What is the InChIKey of (2R)-4-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is FRLAYQWXACYTCF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-12-6-7-14-13(8-12)20(27)23(11-22-14)10-18(25)24-9-17(19(21)26)28-16-5-3-2-4-15(16)24/h2-8,11,17H,9-10H2,1H3,(H2,21,26)/t17-/m1/s1.
What are the key properties of (2R)-4-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
(2R)-4-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 51951421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).