6-cyano-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide;4-oxo-2-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2,6-dicarboxamide

C38H28N10O9 — CID 159841904

IUPAC6-cyano-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide;4-oxo-2-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2,6-dicarboxamide
SMILESN#Cc1ccc2nc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)[nH]c(=O)c2c1.NC(=O)c1ccc2nc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)[nH]c(=O)c2c1
InChIInChI=1S/C19H15N5O5.C19H13N5O4/c20-16(26)10-2-3-12-11(6-10)18(27)24-17(23-12)19(28)21-7-9-1-4-14-13(5-9)22-15(25)8-29-14;20-7-10-1-3-13-12(5-10)18(26)24-17(23-13)19(27)21-8-11-2-4-15-14(6-11)22-16(25)9-28-15/h1-6H,7-8H2,(H2,20,26)(H,21,28)(H,22,25)(H,23,24,27);1-6H,8-9H2,(H,21,27)(H,22,25)(H,23,24,26)
InChIKeyNOUAICXCUPXRNV-UHFFFAOYSA-N
MW768.70 g/mol
LogP1.34
Rot. Bonds7

About 6-cyano-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide;4-oxo-2-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2,6-dicarboxamide

6-cyano-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide;4-oxo-2-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2,6-dicarboxamide (PubChem CID 159841904) has the molecular formula C38H28N10O9 and a molecular weight of 768.70 g/mol. Its IUPAC name is 6-cyano-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide;4-oxo-2-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2,6-dicarboxamide.

Molecular Properties

Compound Name6-cyano-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide;4-oxo-2-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2,6-dicarboxamide
PubChem CID159841904
Molecular FormulaC38H28N10O9
Molecular Weight768.70 g/mol
Exact Mass768.20
IUPAC Name6-cyano-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide;4-oxo-2-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2,6-dicarboxamide
SMILESN#Cc1ccc2nc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)[nH]c(=O)c2c1.NC(=O)c1ccc2nc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)[nH]c(=O)c2c1
InChIInChI=1S/C19H15N5O5.C19H13N5O4/c20-16(26)10-2-3-12-11(6-10)18(27)24-17(23-12)19(28)21-7-9-1-4-14-13(5-9)22-15(25)8-29-14;20-7-10-1-3-13-12(5-10)18(26)24-17(23-13)19(27)21-8-11-2-4-15-14(6-11)22-16(25)9-28-15/h1-6H,7-8H2,(H2,20,26)(H,21,28)(H,22,25)(H,23,24,27);1-6H,8-9H2,(H,21,27)(H,22,25)(H,23,24,26)
InChIKeyNOUAICXCUPXRNV-UHFFFAOYSA-N
XLogP1.34
TPSA293.24 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500768.70
LogP ≤ 51.34
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Analyze 6-cyano-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide;4-oxo-2-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2,6-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

ethane;6-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide
CID 143679618
6-benzyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59298729
5-cyano-4-(2-hydroxyethoxy)-6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrimidine-2-carboxamide
CID 59803096
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide
CID 59802654
4-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-6-carboxylic acid
CID 59379349
3-cyano-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]benzamide
CID 110738504
4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110738398
4-cyclopropyl-5-(3-methylbut-2-en-2-yl)-6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrimidine-2-carboxamide
CID 143679578
N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 847892
N-[(4-fluorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53013560
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-indole-5-carboxamide
CID 59802724
6-amino-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide
CID 71123341

Frequently Asked Questions

What is the IUPAC name of 6-cyano-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide;4-oxo-2-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2,6-dicarboxamide?
The IUPAC name of 6-cyano-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide;4-oxo-2-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2,6-dicarboxamide (CID 159841904) is 6-cyano-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide;4-oxo-2-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2,6-dicarboxamide.
What is the SMILES notation for 6-cyano-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide;4-oxo-2-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2,6-dicarboxamide?
The canonical SMILES for 6-cyano-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide;4-oxo-2-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2,6-dicarboxamide is N#Cc1ccc2nc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)[nH]c(=O)c2c1.NC(=O)c1ccc2nc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)[nH]c(=O)c2c1.
What is the InChIKey of 6-cyano-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide;4-oxo-2-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2,6-dicarboxamide?
The InChIKey is NOUAICXCUPXRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O5.C19H13N5O4/c20-16(26)10-2-3-12-11(6-10)18(27)24-17(23-12)19(28)21-7-9-1-4-14-13(5-9)22-15(25)8-29-14;20-7-10-1-3-13-12(5-10)18(26)24-17(23-13)19(27)21-8-11-2-4-15-14(6-11)22-16(25)9-28-15/h1-6H,7-8H2,(H2,20,26)(H,21,28)(H,22,25)(H,23,24,27);1-6H,8-9H2,(H,21,27)(H,22,25)(H,23,24,26).
What are the key properties of 6-cyano-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide;4-oxo-2-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2,6-dicarboxamide?
6-cyano-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide;4-oxo-2-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2,6-dicarboxamide has a molecular weight of 768.70 g/mol, XLogP of 1.34, 7 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide;4-oxo-2-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2,6-dicarboxamide is sourced from PubChem (CID 159841904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).