2-(4-bromophenyl)-4-phenylquinazoline;4-chloro-2-naphthalen-1-ylpyrido[2,3-d]pyrimidine

C37H23BrClN5 — CID 144696828

IUPAC2-(4-bromophenyl)-4-phenylquinazoline;4-chloro-2-naphthalen-1-ylpyrido[2,3-d]pyrimidine
SMILESBrc1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)cc1.Clc1nc(-c2cccc3ccccc23)nc2ncccc12
InChIInChI=1S/C20H13BrN2.C17H10ClN3/c21-16-12-10-15(11-13-16)20-22-18-9-5-4-8-17(18)19(23-20)14-6-2-1-3-7-14;18-15-14-9-4-10-19-16(14)21-17(20-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-13H;1-10H
InChIKeyRXIIGFDEGDJPRT-UHFFFAOYSA-N
MW652.98 g/mol
LogP10.22
Rot. Bonds3

About 2-(4-bromophenyl)-4-phenylquinazoline;4-chloro-2-naphthalen-1-ylpyrido[2,3-d]pyrimidine

2-(4-bromophenyl)-4-phenylquinazoline;4-chloro-2-naphthalen-1-ylpyrido[2,3-d]pyrimidine (PubChem CID 144696828) has the molecular formula C37H23BrClN5 and a molecular weight of 652.98 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-phenylquinazoline;4-chloro-2-naphthalen-1-ylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-phenylquinazoline;4-chloro-2-naphthalen-1-ylpyrido[2,3-d]pyrimidine
PubChem CID144696828
Molecular FormulaC37H23BrClN5
Molecular Weight652.98 g/mol
Exact Mass651.08
IUPAC Name2-(4-bromophenyl)-4-phenylquinazoline;4-chloro-2-naphthalen-1-ylpyrido[2,3-d]pyrimidine
SMILESBrc1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)cc1.Clc1nc(-c2cccc3ccccc23)nc2ncccc12
InChIInChI=1S/C20H13BrN2.C17H10ClN3/c21-16-12-10-15(11-13-16)20-22-18-9-5-4-8-17(18)19(23-20)14-6-2-1-3-7-14;18-15-14-9-4-10-19-16(14)21-17(20-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-13H;1-10H
InChIKeyRXIIGFDEGDJPRT-UHFFFAOYSA-N
XLogP10.22
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.98
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 127049101
5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethylisoquinolin-8-amine
CID 56592292
7-bromo-N-(3-chloro-4-fluorophenyl)-2-(pyridin-3-yl)quinazolin-4-amine
CID 67298326
4-(5-Bromo-pyridin-3-yl)-2-(5-chloro-2-fluoro-phenyl)-[1,8]naphthyridine
CID 67364376
3-Bromo-5-[2-(5-chloro-2-fluoro-phenyl)-[1,8]naphthyridin-4-yl]-pyridin-2-ylamine
CID 67364390
3-Bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine
CID 67379868
2-(5-chloro-2-fluorophenyl)-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-N-pyrimidin-4-ylquinolin-4-amine
CID 70660171
4-N-(3-bromophenyl)-6-(2-chloro-3-fluoro-4-pyridinyl)quinazoline-2,4-diamine
CID 87656229
[5-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-methylidene-lambda3-bromane
CID 144230048
2-(5-Chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine
CID 157463181
[3-[4-(6-Amino-5-bromo-3-pyridinyl)-1,8-naphthyridin-2-yl]-4-fluorophenyl]chloranium
CID 164149041
6-(4-Bromophenyl)-1,3,7-triazapyrene
CID 62706593

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-phenylquinazoline;4-chloro-2-naphthalen-1-ylpyrido[2,3-d]pyrimidine?
The IUPAC name of 2-(4-bromophenyl)-4-phenylquinazoline;4-chloro-2-naphthalen-1-ylpyrido[2,3-d]pyrimidine (CID 144696828) is 2-(4-bromophenyl)-4-phenylquinazoline;4-chloro-2-naphthalen-1-ylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)-4-phenylquinazoline;4-chloro-2-naphthalen-1-ylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-4-phenylquinazoline;4-chloro-2-naphthalen-1-ylpyrido[2,3-d]pyrimidine is Brc1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)cc1.Clc1nc(-c2cccc3ccccc23)nc2ncccc12.
What is the InChIKey of 2-(4-bromophenyl)-4-phenylquinazoline;4-chloro-2-naphthalen-1-ylpyrido[2,3-d]pyrimidine?
The InChIKey is RXIIGFDEGDJPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2.C17H10ClN3/c21-16-12-10-15(11-13-16)20-22-18-9-5-4-8-17(18)19(23-20)14-6-2-1-3-7-14;18-15-14-9-4-10-19-16(14)21-17(20-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-13H;1-10H.
What are the key properties of 2-(4-bromophenyl)-4-phenylquinazoline;4-chloro-2-naphthalen-1-ylpyrido[2,3-d]pyrimidine?
2-(4-bromophenyl)-4-phenylquinazoline;4-chloro-2-naphthalen-1-ylpyrido[2,3-d]pyrimidine has a molecular weight of 652.98 g/mol, XLogP of 10.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-phenylquinazoline;4-chloro-2-naphthalen-1-ylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 144696828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).