4-[2-(4-chlorophenyl)-5,6,7,8-tetrahydrochrysen-4-yl]quinazoline

C32H23ClN2 — CID 174341690

IUPAC4-[2-(4-chlorophenyl)-5,6,7,8-tetrahydrochrysen-4-yl]quinazoline
SMILESClc1ccc(-c2cc(-c3ncnc4ccccc34)c3c4c(ccc3c2)C2=C(CCC=C2)CC4)cc1
InChIInChI=1S/C32H23ClN2/c33-24-13-9-20(10-14-24)23-17-22-12-15-26-25-6-2-1-5-21(25)11-16-27(26)31(22)29(18-23)32-28-7-3-4-8-30(28)34-19-35-32/h2-4,6-10,12-15,17-19H,1,5,11,16H2
InChIKeyBBWWGWMQCGGMFD-UHFFFAOYSA-N
MW471.00 g/mol
LogP8.82
Rot. Bonds2

About 4-[2-(4-chlorophenyl)-5,6,7,8-tetrahydrochrysen-4-yl]quinazoline

4-[2-(4-chlorophenyl)-5,6,7,8-tetrahydrochrysen-4-yl]quinazoline (PubChem CID 174341690) has the molecular formula C32H23ClN2 and a molecular weight of 471.00 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-5,6,7,8-tetrahydrochrysen-4-yl]quinazoline.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-5,6,7,8-tetrahydrochrysen-4-yl]quinazoline
PubChem CID174341690
Molecular FormulaC32H23ClN2
Molecular Weight471.00 g/mol
Exact Mass470.15
IUPAC Name4-[2-(4-chlorophenyl)-5,6,7,8-tetrahydrochrysen-4-yl]quinazoline
SMILESClc1ccc(-c2cc(-c3ncnc4ccccc34)c3c4c(ccc3c2)C2=C(CCC=C2)CC4)cc1
InChIInChI=1S/C32H23ClN2/c33-24-13-9-20(10-14-24)23-17-22-12-15-26-25-6-2-1-5-21(25)11-16-27(26)31(22)29(18-23)32-28-7-3-4-8-30(28)34-19-35-32/h2-4,6-10,12-15,17-19H,1,5,11,16H2
InChIKeyBBWWGWMQCGGMFD-UHFFFAOYSA-N
XLogP8.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.00
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline
CID 174694275
10-chloro-1,2,11,12-tetrahydrochrysene;2-phenylquinazoline
CID 174326633
cinnoline;1,2,11,12-tetrahydrochrysene
CID 174316438
10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene
CID 174797668
1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride
CID 174712080
1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride
CID 174712744
2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol
CID 175438347
4-naphthalen-2-ylquinazoline
CID 58881337
benzo[e]benzimidazol-2-one;1,2,11,12-tetrahydrochrysene
CID 174378285
4,5-dihydro-1,3-oxazole;1,2,11,12-tetrahydrochrysene
CID 174610668
8-methylsulfanyl-1,2,11,12-tetrahydrochrysene
CID 174806842
1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene
CID 174912201

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-5,6,7,8-tetrahydrochrysen-4-yl]quinazoline?
The IUPAC name of 4-[2-(4-chlorophenyl)-5,6,7,8-tetrahydrochrysen-4-yl]quinazoline (CID 174341690) is 4-[2-(4-chlorophenyl)-5,6,7,8-tetrahydrochrysen-4-yl]quinazoline.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-5,6,7,8-tetrahydrochrysen-4-yl]quinazoline?
The canonical SMILES for 4-[2-(4-chlorophenyl)-5,6,7,8-tetrahydrochrysen-4-yl]quinazoline is Clc1ccc(-c2cc(-c3ncnc4ccccc34)c3c4c(ccc3c2)C2=C(CCC=C2)CC4)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-5,6,7,8-tetrahydrochrysen-4-yl]quinazoline?
The InChIKey is BBWWGWMQCGGMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23ClN2/c33-24-13-9-20(10-14-24)23-17-22-12-15-26-25-6-2-1-5-21(25)11-16-27(26)31(22)29(18-23)32-28-7-3-4-8-30(28)34-19-35-32/h2-4,6-10,12-15,17-19H,1,5,11,16H2.
What are the key properties of 4-[2-(4-chlorophenyl)-5,6,7,8-tetrahydrochrysen-4-yl]quinazoline?
4-[2-(4-chlorophenyl)-5,6,7,8-tetrahydrochrysen-4-yl]quinazoline has a molecular weight of 471.00 g/mol, XLogP of 8.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-5,6,7,8-tetrahydrochrysen-4-yl]quinazoline is sourced from PubChem (CID 174341690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).