4-(4-chloroanilino)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one

C25H26ClN5O2 — CID 30316133

IUPAC4-(4-chloroanilino)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1cccc(N2CCN(c3nc4c(c(Nc5ccc(Cl)cc5)n3)C(=O)CCC4)CC2)c1
InChIInChI=1S/C25H26ClN5O2/c1-33-20-5-2-4-19(16-20)30-12-14-31(15-13-30)25-28-21-6-3-7-22(32)23(21)24(29-25)27-18-10-8-17(26)9-11-18/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3,(H,27,28,29)
InChIKeyYZHAKLHFMFJXEV-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.73
Rot. Bonds5

About 4-(4-chloroanilino)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one

4-(4-chloroanilino)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 30316133) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 4-(4-chloroanilino)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name4-(4-chloroanilino)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID30316133
Molecular FormulaC25H26ClN5O2
Molecular Weight463.97 g/mol
Exact Mass463.18
IUPAC Name4-(4-chloroanilino)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1cccc(N2CCN(c3nc4c(c(Nc5ccc(Cl)cc5)n3)C(=O)CCC4)CC2)c1
InChIInChI=1S/C25H26ClN5O2/c1-33-20-5-2-4-19(16-20)30-12-14-31(15-13-30)25-28-21-6-3-7-22(32)23(21)24(29-25)27-18-10-8-17(26)9-11-18/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3,(H,27,28,29)
InChIKeyYZHAKLHFMFJXEV-UHFFFAOYSA-N
XLogP4.73
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-chloroanilino)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

4-(4-methoxyanilino)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 30316343
ethyl 4-[4-(4-chloroanilino)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate
CID 30316107
2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30317656
2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30318294
4-(4-chloroanilino)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30320044
4-(4-methylanilino)-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 30315874
2-(4-benzylpiperazin-1-yl)-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 16584618
ethyl 4-[4-(4-chloroanilino)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate
CID 43902807
N-[4-[chloro(difluoro)methoxy]phenyl]-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methoxy-1,3,5-triazin-2-amine
CID 5091828
2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135644892
(7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4-(methylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 41387353
2-[4-(2-fluorophenyl)piperazin-1-yl]-7-(furan-2-yl)-4-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43902914

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloroanilino)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 4-(4-chloroanilino)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one (CID 30316133) is 4-(4-chloroanilino)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 4-(4-chloroanilino)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 4-(4-chloroanilino)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one is COc1cccc(N2CCN(c3nc4c(c(Nc5ccc(Cl)cc5)n3)C(=O)CCC4)CC2)c1.
What is the InChIKey of 4-(4-chloroanilino)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is YZHAKLHFMFJXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c1-33-20-5-2-4-19(16-20)30-12-14-31(15-13-30)25-28-21-6-3-7-22(32)23(21)24(29-25)27-18-10-8-17(26)9-11-18/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3,(H,27,28,29).
What are the key properties of 4-(4-chloroanilino)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
4-(4-chloroanilino)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 463.97 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloroanilino)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 30316133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).