8-chloro-2-(4-phenylphenyl)-3H-quinazolin-4-one;4-N-[8-chloro-2-(4-phenylphenyl)quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;2,8-dichloro-3H-quinazolin-4-one

C57H50Cl4N8O2 — CID 160540087

IUPAC8-chloro-2-(4-phenylphenyl)-3H-quinazolin-4-one;4-N-[8-chloro-2-(4-phenylphenyl)quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;2,8-dichloro-3H-quinazolin-4-one
SMILESCCN(CC)CCCC(C)Nc1nc(-c2ccc(-c3ccccc3)cc2)nc2c(Cl)cccc12.O=c1[nH]c(-c2ccc(-c3ccccc3)cc2)nc2c(Cl)cccc12.O=c1[nH]c(Cl)nc2c(Cl)cccc12
InChIInChI=1S/C29H33ClN4.C20H13ClN2O.C8H4Cl2N2O/c1-4-34(5-2)20-10-11-21(3)31-29-25-14-9-15-26(30)27(25)32-28(33-29)24-18-16-23(17-19-24)22-12-7-6-8-13-22;21-17-8-4-7-16-18(17)22-19(23-20(16)24)15-11-9-14(10-12-15)13-5-2-1-3-6-13;9-5-3-1-2-4-6(5)11-8(10)12-7(4)13/h6-9,12-19,21H,4-5,10-11,20H2,1-3H3,(H,31,32,33);1-12H,(H,22,23,24);1-3H,(H,11,12,13)
InChIKeyQWRAJWMHGYZNHB-UHFFFAOYSA-N
MW1020.89 g/mol
LogP14.68
Rot. Bonds12

About 8-chloro-2-(4-phenylphenyl)-3H-quinazolin-4-one;4-N-[8-chloro-2-(4-phenylphenyl)quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;2,8-dichloro-3H-quinazolin-4-one

8-chloro-2-(4-phenylphenyl)-3H-quinazolin-4-one;4-N-[8-chloro-2-(4-phenylphenyl)quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;2,8-dichloro-3H-quinazolin-4-one (PubChem CID 160540087) has the molecular formula C57H50Cl4N8O2 and a molecular weight of 1020.89 g/mol. Its IUPAC name is 8-chloro-2-(4-phenylphenyl)-3H-quinazolin-4-one;4-N-[8-chloro-2-(4-phenylphenyl)quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;2,8-dichloro-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-chloro-2-(4-phenylphenyl)-3H-quinazolin-4-one;4-N-[8-chloro-2-(4-phenylphenyl)quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;2,8-dichloro-3H-quinazolin-4-one
PubChem CID160540087
Molecular FormulaC57H50Cl4N8O2
Molecular Weight1020.89 g/mol
Exact Mass1018.28
IUPAC Name8-chloro-2-(4-phenylphenyl)-3H-quinazolin-4-one;4-N-[8-chloro-2-(4-phenylphenyl)quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;2,8-dichloro-3H-quinazolin-4-one
SMILESCCN(CC)CCCC(C)Nc1nc(-c2ccc(-c3ccccc3)cc2)nc2c(Cl)cccc12.O=c1[nH]c(-c2ccc(-c3ccccc3)cc2)nc2c(Cl)cccc12.O=c1[nH]c(Cl)nc2c(Cl)cccc12
InChIInChI=1S/C29H33ClN4.C20H13ClN2O.C8H4Cl2N2O/c1-4-34(5-2)20-10-11-21(3)31-29-25-14-9-15-26(30)27(25)32-28(33-29)24-18-16-23(17-19-24)22-12-7-6-8-13-22;21-17-8-4-7-16-18(17)22-19(23-20(16)24)15-11-9-14(10-12-15)13-5-2-1-3-6-13;9-5-3-1-2-4-6(5)11-8(10)12-7(4)13/h6-9,12-19,21H,4-5,10-11,20H2,1-3H3,(H,31,32,33);1-12H,(H,22,23,24);1-3H,(H,11,12,13)
InChIKeyQWRAJWMHGYZNHB-UHFFFAOYSA-N
XLogP14.68
TPSA132.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001020.89
LogP ≤ 514.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 8-chloro-2-(4-phenylphenyl)-3H-quinazolin-4-one;4-N-[8-chloro-2-(4-phenylphenyl)quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;2,8-dichloro-3H-quinazolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(4-phenylphenyl)-3H-quinazolin-4-one;4-N-[8-chloro-2-(4-phenylphenyl)quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;2,8-dichloro-3H-quinazolin-4-one?
The IUPAC name of 8-chloro-2-(4-phenylphenyl)-3H-quinazolin-4-one;4-N-[8-chloro-2-(4-phenylphenyl)quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;2,8-dichloro-3H-quinazolin-4-one (CID 160540087) is 8-chloro-2-(4-phenylphenyl)-3H-quinazolin-4-one;4-N-[8-chloro-2-(4-phenylphenyl)quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;2,8-dichloro-3H-quinazolin-4-one.
What is the SMILES notation for 8-chloro-2-(4-phenylphenyl)-3H-quinazolin-4-one;4-N-[8-chloro-2-(4-phenylphenyl)quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;2,8-dichloro-3H-quinazolin-4-one?
The canonical SMILES for 8-chloro-2-(4-phenylphenyl)-3H-quinazolin-4-one;4-N-[8-chloro-2-(4-phenylphenyl)quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;2,8-dichloro-3H-quinazolin-4-one is CCN(CC)CCCC(C)Nc1nc(-c2ccc(-c3ccccc3)cc2)nc2c(Cl)cccc12.O=c1[nH]c(-c2ccc(-c3ccccc3)cc2)nc2c(Cl)cccc12.O=c1[nH]c(Cl)nc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-(4-phenylphenyl)-3H-quinazolin-4-one;4-N-[8-chloro-2-(4-phenylphenyl)quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;2,8-dichloro-3H-quinazolin-4-one?
The InChIKey is QWRAJWMHGYZNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN4.C20H13ClN2O.C8H4Cl2N2O/c1-4-34(5-2)20-10-11-21(3)31-29-25-14-9-15-26(30)27(25)32-28(33-29)24-18-16-23(17-19-24)22-12-7-6-8-13-22;21-17-8-4-7-16-18(17)22-19(23-20(16)24)15-11-9-14(10-12-15)13-5-2-1-3-6-13;9-5-3-1-2-4-6(5)11-8(10)12-7(4)13/h6-9,12-19,21H,4-5,10-11,20H2,1-3H3,(H,31,32,33);1-12H,(H,22,23,24);1-3H,(H,11,12,13).
What are the key properties of 8-chloro-2-(4-phenylphenyl)-3H-quinazolin-4-one;4-N-[8-chloro-2-(4-phenylphenyl)quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;2,8-dichloro-3H-quinazolin-4-one?
8-chloro-2-(4-phenylphenyl)-3H-quinazolin-4-one;4-N-[8-chloro-2-(4-phenylphenyl)quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;2,8-dichloro-3H-quinazolin-4-one has a molecular weight of 1020.89 g/mol, XLogP of 14.68, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(4-phenylphenyl)-3H-quinazolin-4-one;4-N-[8-chloro-2-(4-phenylphenyl)quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;2,8-dichloro-3H-quinazolin-4-one is sourced from PubChem (CID 160540087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).