[4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid

C18H14N6O3 — CID 155436367

IUPAC[4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid
SMILESCc1nc(Nc2nc3ccccc3c(=O)[nH]2)nc2ccc(NC(=O)O)cc12
InChIInChI=1S/C18H14N6O3/c1-9-12-8-10(20-18(26)27)6-7-14(12)22-16(19-9)24-17-21-13-5-3-2-4-11(13)15(25)23-17/h2-8,20H,1H3,(H,26,27)(H2,19,21,22,23,24,25)
InChIKeySICYQRMWMHSOIW-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.01
Rot. Bonds3

About [4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid

[4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid (PubChem CID 155436367) has the molecular formula C18H14N6O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is [4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid.

Molecular Properties

Compound Name[4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid
PubChem CID155436367
Molecular FormulaC18H14N6O3
Molecular Weight362.35 g/mol
Exact Mass362.11
IUPAC Name[4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid
SMILESCc1nc(Nc2nc3ccccc3c(=O)[nH]2)nc2ccc(NC(=O)O)cc12
InChIInChI=1S/C18H14N6O3/c1-9-12-8-10(20-18(26)27)6-7-14(12)22-16(19-9)24-17-21-13-5-3-2-4-11(13)15(25)23-17/h2-8,20H,1H3,(H,26,27)(H2,19,21,22,23,24,25)
InChIKeySICYQRMWMHSOIW-UHFFFAOYSA-N
XLogP3.01
TPSA132.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid with MolForge

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Related Compounds

2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135455921
2-[(6-bromo-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 155453165
2-(3,5-dimethylanilino)-3H-quinazolin-4-one
CID 135439663
N-[4-hydroxy-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-1H-pyrimidin-5-yl]acetamide
CID 23732160
4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 788084
6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135448199
2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135449223
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one
CID 135440093
3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 175916852
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one
CID 135882024
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135882008
5-butyl-2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602395

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid?
The IUPAC name of [4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid (CID 155436367) is [4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid.
What is the SMILES notation for [4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid?
The canonical SMILES for [4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid is Cc1nc(Nc2nc3ccccc3c(=O)[nH]2)nc2ccc(NC(=O)O)cc12.
What is the InChIKey of [4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid?
The InChIKey is SICYQRMWMHSOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O3/c1-9-12-8-10(20-18(26)27)6-7-14(12)22-16(19-9)24-17-21-13-5-3-2-4-11(13)15(25)23-17/h2-8,20H,1H3,(H,26,27)(H2,19,21,22,23,24,25).
What are the key properties of [4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid?
[4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid has a molecular weight of 362.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid is sourced from PubChem (CID 155436367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).