2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one

C21H20N4O2 — CID 30317656

IUPAC2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1cccc(Nc2nc(Nc3ccccc3)nc3c2C(=O)CCC3)c1
InChIInChI=1S/C21H20N4O2/c1-27-16-10-5-9-15(13-16)22-20-19-17(11-6-12-18(19)26)24-21(25-20)23-14-7-3-2-4-8-14/h2-5,7-10,13H,6,11-12H2,1H3,(H2,22,23,24,25)
InChIKeySYLBNNXABBVTPW-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.49
Rot. Bonds5

About 2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one

2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 30317656) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID30317656
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1cccc(Nc2nc(Nc3ccccc3)nc3c2C(=O)CCC3)c1
InChIInChI=1S/C21H20N4O2/c1-27-16-10-5-9-15(13-16)22-20-19-17(11-6-12-18(19)26)24-21(25-20)23-14-7-3-2-4-8-14/h2-5,7-10,13H,6,11-12H2,1H3,(H2,22,23,24,25)
InChIKeySYLBNNXABBVTPW-UHFFFAOYSA-N
XLogP4.49
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

2-(4-fluoroanilino)-4-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 30318701
2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30318294
4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903150
4-anilino-2-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903095
2,4-bis(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30319027
4-(3,4-dichloroanilino)-2-(3-methoxyanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903207
4-(4-methoxyanilino)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 30316343
4-(4-chloroanilino)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 30316133
4-(3,4-dichloroanilino)-2-(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30319078
4-(3-chloro-4-methylanilino)-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 30320466
2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 17198365
2-anilino-4-(4-fluoroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317882

Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one (CID 30317656) is 2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one is COc1cccc(Nc2nc(Nc3ccccc3)nc3c2C(=O)CCC3)c1.
What is the InChIKey of 2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is SYLBNNXABBVTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-27-16-10-5-9-15(13-16)22-20-19-17(11-6-12-18(19)26)24-21(25-20)23-14-7-3-2-4-8-14/h2-5,7-10,13H,6,11-12H2,1H3,(H2,22,23,24,25).
What are the key properties of 2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one?
2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 360.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 30317656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).