6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-1-en-2-ylpiperazin-1-yl)-1-(2-propylphenyl)quinazolin-2-one

C34H33ClN4O2 — CID 142388263

IUPAC6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-1-en-2-ylpiperazin-1-yl)-1-(2-propylphenyl)quinazolin-2-one
SMILESC=C(C)N1CCN(c2nc(=O)n(-c3ccccc3CCC)c3cc(-c4cc(O)cc5ccccc45)c(Cl)cc23)CC1
InChIInChI=1S/C34H33ClN4O2/c1-4-9-23-10-6-8-13-31(23)39-32-21-28(27-19-25(40)18-24-11-5-7-12-26(24)27)30(35)20-29(32)33(36-34(39)41)38-16-14-37(15-17-38)22(2)3/h5-8,10-13,18-21,40H,2,4,9,14-17H2,1,3H3
InChIKeyYGHFYOAZMSQALC-UHFFFAOYSA-N
MW565.12 g/mol
LogP7.17
Rot. Bonds6

About 6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-1-en-2-ylpiperazin-1-yl)-1-(2-propylphenyl)quinazolin-2-one

6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-1-en-2-ylpiperazin-1-yl)-1-(2-propylphenyl)quinazolin-2-one (PubChem CID 142388263) has the molecular formula C34H33ClN4O2 and a molecular weight of 565.12 g/mol. Its IUPAC name is 6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-1-en-2-ylpiperazin-1-yl)-1-(2-propylphenyl)quinazolin-2-one.

Molecular Properties

Compound Name6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-1-en-2-ylpiperazin-1-yl)-1-(2-propylphenyl)quinazolin-2-one
PubChem CID142388263
Molecular FormulaC34H33ClN4O2
Molecular Weight565.12 g/mol
Exact Mass564.23
IUPAC Name6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-1-en-2-ylpiperazin-1-yl)-1-(2-propylphenyl)quinazolin-2-one
SMILESC=C(C)N1CCN(c2nc(=O)n(-c3ccccc3CCC)c3cc(-c4cc(O)cc5ccccc45)c(Cl)cc23)CC1
InChIInChI=1S/C34H33ClN4O2/c1-4-9-23-10-6-8-13-31(23)39-32-21-28(27-19-25(40)18-24-11-5-7-12-26(24)27)30(35)20-29(32)33(36-34(39)41)38-16-14-37(15-17-38)22(2)3/h5-8,10-13,18-21,40H,2,4,9,14-17H2,1,3H3
InChIKeyYGHFYOAZMSQALC-UHFFFAOYSA-N
XLogP7.17
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.12
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-1-en-2-ylpiperazin-1-yl)-1-(2-propylphenyl)quinazolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-7-(2-chlorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propylphenyl)quinazolin-2-one
CID 135148888
6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(3-propyl-2-pyridinyl)quinazolin-2-one
CID 146235951
7-(azetidin-1-yl)-6-chloro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146236046
7-bromo-6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]quinazolin-2-one
CID 146235124
2-[4,7-bis(carboxymethyl)-10-[2-[2-[2-[2-[4-[6-chloro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxo-1-(2-propylphenyl)quinazolin-7-yl]-3-fluoro-5-hydroxyphenoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 167457870
6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-propan-2-ylphenyl)-4-(4-prop-2-enylpiperazin-1-yl)quinazolin-2-one
CID 172688684
1-[4-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]piperazin-1-yl]butan-1-one
CID 135188362
6-chloro-7-(3-hydroxynaphthalen-1-yl)-1-(2-morpholin-4-ylphenyl)-4-[(1-prop-2-enoylazetidin-3-yl)methyl]quinoxaline-2,3-dione
CID 166816491
6-chloro-7-(5-methyl-1H-indazol-4-yl)-1-(2-propan-2-ylphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-one
CID 159683392
6-chloro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1-(2-propylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146235605
1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine
CID 142506773
6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-one;6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-(trifluoromethyl)phenyl]quinazolin-2-one
CID 161182787

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-1-en-2-ylpiperazin-1-yl)-1-(2-propylphenyl)quinazolin-2-one?
The IUPAC name of 6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-1-en-2-ylpiperazin-1-yl)-1-(2-propylphenyl)quinazolin-2-one (CID 142388263) is 6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-1-en-2-ylpiperazin-1-yl)-1-(2-propylphenyl)quinazolin-2-one.
What is the SMILES notation for 6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-1-en-2-ylpiperazin-1-yl)-1-(2-propylphenyl)quinazolin-2-one?
The canonical SMILES for 6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-1-en-2-ylpiperazin-1-yl)-1-(2-propylphenyl)quinazolin-2-one is C=C(C)N1CCN(c2nc(=O)n(-c3ccccc3CCC)c3cc(-c4cc(O)cc5ccccc45)c(Cl)cc23)CC1.
What is the InChIKey of 6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-1-en-2-ylpiperazin-1-yl)-1-(2-propylphenyl)quinazolin-2-one?
The InChIKey is YGHFYOAZMSQALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33ClN4O2/c1-4-9-23-10-6-8-13-31(23)39-32-21-28(27-19-25(40)18-24-11-5-7-12-26(24)27)30(35)20-29(32)33(36-34(39)41)38-16-14-37(15-17-38)22(2)3/h5-8,10-13,18-21,40H,2,4,9,14-17H2,1,3H3.
What are the key properties of 6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-1-en-2-ylpiperazin-1-yl)-1-(2-propylphenyl)quinazolin-2-one?
6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-1-en-2-ylpiperazin-1-yl)-1-(2-propylphenyl)quinazolin-2-one has a molecular weight of 565.12 g/mol, XLogP of 7.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-1-en-2-ylpiperazin-1-yl)-1-(2-propylphenyl)quinazolin-2-one is sourced from PubChem (CID 142388263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).