6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one

C16H9Cl2N5O2 — CID 135430600

IUPAC6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one
SMILESO=c1[nH]c(Nc2nc3ccc(Cl)cc3c(=O)[nH]2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H9Cl2N5O2/c17-7-1-3-11-9(5-7)13(24)21-15(19-11)23-16-20-12-4-2-8(18)6-10(12)14(25)22-16/h1-6H,(H3,19,20,21,22,23,24,25)
InChIKeyDWJBVJMPGFRNSO-UHFFFAOYSA-N
MW374.19 g/mol
LogP3.21
Rot. Bonds2

About 6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one

6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one (PubChem CID 135430600) has the molecular formula C16H9Cl2N5O2 and a molecular weight of 374.19 g/mol. Its IUPAC name is 6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one
PubChem CID135430600
Molecular FormulaC16H9Cl2N5O2
Molecular Weight374.19 g/mol
Exact Mass373.01
IUPAC Name6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one
SMILESO=c1[nH]c(Nc2nc3ccc(Cl)cc3c(=O)[nH]2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H9Cl2N5O2/c17-7-1-3-11-9(5-7)13(24)21-15(19-11)23-16-20-12-4-2-8(18)6-10(12)14(25)22-16/h1-6H,(H3,19,20,21,22,23,24,25)
InChIKeyDWJBVJMPGFRNSO-UHFFFAOYSA-N
XLogP3.21
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one with MolForge

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Related Compounds

2,6-dichloro-3H-quinazolin-4-one
CID 135742281
6-amino-2-(4-chloroanilino)-3H-quinazolin-4-one
CID 136808617
6-chloro-2-[[(1S)-1-phenylethyl]amino]-3H-quinazolin-4-one
CID 135450956
6-chloro-2-[(2-hydroxy-3,3-dimethylcyclohexa-1,5-dien-1-yl)amino]-3H-quinazolin-4-one
CID 141170464
6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one
CID 135407746
6-chloro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135932587
6-amino-2-(3,4-dichloroanilino)-3H-quinazolin-4-one
CID 136808608
6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one
CID 136808641
2-(6-chloro-4-oxo-3H-quinazolin-2-yl)guanidine
CID 135447322
6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one
CID 137201177
6-chloro-2-ethoxy-3H-quinazolin-4-one
CID 175805927
6-amino-2-(2-chloro-5-fluoroanilino)-3H-quinazolin-4-one
CID 136857307

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one (CID 135430600) is 6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one is O=c1[nH]c(Nc2nc3ccc(Cl)cc3c(=O)[nH]2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one?
The InChIKey is DWJBVJMPGFRNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2N5O2/c17-7-1-3-11-9(5-7)13(24)21-15(19-11)23-16-20-12-4-2-8(18)6-10(12)14(25)22-16/h1-6H,(H3,19,20,21,22,23,24,25).
What are the key properties of 6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one?
6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one has a molecular weight of 374.19 g/mol, XLogP of 3.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 135430600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).