3-chloro-6-(3-phenylphenyl)pyrimido[4,5-c]quinolin-5-one

C23H14ClN3O — CID 146597134

IUPAC3-chloro-6-(3-phenylphenyl)pyrimido[4,5-c]quinolin-5-one
SMILESO=c1c2nc(Cl)ncc2c2ccccc2n1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H14ClN3O/c24-23-25-14-19-18-11-4-5-12-20(18)27(22(28)21(19)26-23)17-10-6-9-16(13-17)15-7-2-1-3-8-15/h1-14H
InChIKeyCGMQDBROCSXETO-UHFFFAOYSA-N
MW383.84 g/mol
LogP5.25
Rot. Bonds2

About 3-chloro-6-(3-phenylphenyl)pyrimido[4,5-c]quinolin-5-one

3-chloro-6-(3-phenylphenyl)pyrimido[4,5-c]quinolin-5-one (PubChem CID 146597134) has the molecular formula C23H14ClN3O and a molecular weight of 383.84 g/mol. Its IUPAC name is 3-chloro-6-(3-phenylphenyl)pyrimido[4,5-c]quinolin-5-one.

Molecular Properties

Compound Name3-chloro-6-(3-phenylphenyl)pyrimido[4,5-c]quinolin-5-one
PubChem CID146597134
Molecular FormulaC23H14ClN3O
Molecular Weight383.84 g/mol
Exact Mass383.08
IUPAC Name3-chloro-6-(3-phenylphenyl)pyrimido[4,5-c]quinolin-5-one
SMILESO=c1c2nc(Cl)ncc2c2ccccc2n1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H14ClN3O/c24-23-25-14-19-18-11-4-5-12-20(18)27(22(28)21(19)26-23)17-10-6-9-16(13-17)15-7-2-1-3-8-15/h1-14H
InChIKeyCGMQDBROCSXETO-UHFFFAOYSA-N
XLogP5.25
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.84
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(3-carbazol-9-ylphenyl)-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 139484320
6-(3-phenylphenyl)-2-[14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimido[5,4-c]quinolin-5-one
CID 146647234
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
9-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901354
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
11,15-diphenyl-20-(3-phenylphenyl)-11,15,20-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,18,21,23,25,27-dodecaen-16-one
CID 168933422
9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 177124510
2-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-d]pyrimidine
CID 121433906
5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one
CID 134576237
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943621
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3-phenylphenyl)pyrimido[4,5-c]quinolin-5-one?
The IUPAC name of 3-chloro-6-(3-phenylphenyl)pyrimido[4,5-c]quinolin-5-one (CID 146597134) is 3-chloro-6-(3-phenylphenyl)pyrimido[4,5-c]quinolin-5-one.
What is the SMILES notation for 3-chloro-6-(3-phenylphenyl)pyrimido[4,5-c]quinolin-5-one?
The canonical SMILES for 3-chloro-6-(3-phenylphenyl)pyrimido[4,5-c]quinolin-5-one is O=c1c2nc(Cl)ncc2c2ccccc2n1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-chloro-6-(3-phenylphenyl)pyrimido[4,5-c]quinolin-5-one?
The InChIKey is CGMQDBROCSXETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClN3O/c24-23-25-14-19-18-11-4-5-12-20(18)27(22(28)21(19)26-23)17-10-6-9-16(13-17)15-7-2-1-3-8-15/h1-14H.
What are the key properties of 3-chloro-6-(3-phenylphenyl)pyrimido[4,5-c]quinolin-5-one?
3-chloro-6-(3-phenylphenyl)pyrimido[4,5-c]quinolin-5-one has a molecular weight of 383.84 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3-phenylphenyl)pyrimido[4,5-c]quinolin-5-one is sourced from PubChem (CID 146597134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).