2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine

C20H15ClN4 — CID 57151753

IUPAC2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine
SMILESClc1cc(Nc2ncnc3ccccc23)ccc1Nc1ccccc1
InChIInChI=1S/C20H15ClN4/c21-17-12-15(10-11-19(17)24-14-6-2-1-3-7-14)25-20-16-8-4-5-9-18(16)22-13-23-20/h1-13,24H,(H,22,23,25)
InChIKeyDXKKBSVFSQUAOQ-UHFFFAOYSA-N
MW346.82 g/mol
LogP5.77
Rot. Bonds4

About 2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine

2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine (PubChem CID 57151753) has the molecular formula C20H15ClN4 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine
PubChem CID57151753
Molecular FormulaC20H15ClN4
Molecular Weight346.82 g/mol
Exact Mass346.10
IUPAC Name2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine
SMILESClc1cc(Nc2ncnc3ccccc23)ccc1Nc1ccccc1
InChIInChI=1S/C20H15ClN4/c21-17-12-15(10-11-19(17)24-14-6-2-1-3-7-14)25-20-16-8-4-5-9-18(16)22-13-23-20/h1-13,24H,(H,22,23,25)
InChIKeyDXKKBSVFSQUAOQ-UHFFFAOYSA-N
XLogP5.77
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.82
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine 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

N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine
CID 158558488
N-naphthalen-2-ylquinazolin-4-amine
CID 110434772
4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
N-[3-(chloromethyl)phenyl]quinazolin-4-amine
CID 65027326
N-(4-tert-butylphenyl)quinazolin-4-amine
CID 11323396
4-anilinoquinazolin-6-ol;ethane
CID 91520479
2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690548
2-[4-(quinazolin-4-ylamino)phenyl]acetic acid
CID 21002390
2-methyl-5-(quinazolin-4-ylamino)benzoic acid
CID 63652827
N-pyridin-3-ylquinazolin-4-amine
CID 5328017

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine (CID 57151753) is 2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine is Clc1cc(Nc2ncnc3ccccc23)ccc1Nc1ccccc1.
What is the InChIKey of 2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine?
The InChIKey is DXKKBSVFSQUAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4/c21-17-12-15(10-11-19(17)24-14-6-2-1-3-7-14)25-20-16-8-4-5-9-18(16)22-13-23-20/h1-13,24H,(H,22,23,25).
What are the key properties of 2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine?
2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine has a molecular weight of 346.82 g/mol, XLogP of 5.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine is sourced from PubChem (CID 57151753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).