2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine

C22H20N4 — CID 159596198

IUPAC2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine
SMILESCN(C)c1ccccc1Nc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H20N4/c1-26(2)20-15-9-8-14-19(20)24-22-17-12-6-7-13-18(17)23-21(25-22)16-10-4-3-5-11-16/h3-15H,1-2H3,(H,23,24,25)
InChIKeyMKWKEBCEAZJLIS-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.11
Rot. Bonds4

About 2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine

2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine (PubChem CID 159596198) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine
PubChem CID159596198
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine
SMILESCN(C)c1ccccc1Nc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H20N4/c1-26(2)20-15-9-8-14-19(20)24-22-17-12-6-7-13-18(17)23-21(25-22)16-10-4-3-5-11-16/h3-15H,1-2H3,(H,23,24,25)
InChIKeyMKWKEBCEAZJLIS-UHFFFAOYSA-N
XLogP5.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-phenylquinazolin-4-amine;ethane
CID 90692707
2-phenyl-N-propan-2-ylquinazolin-4-amine
CID 719252
2-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzenesulfonamide
CID 172913768
4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride
CID 18593652
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
N-(4-phenoxyphenyl)-2-phenylquinazolin-4-amine
CID 11567274
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525
N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine
CID 2459759
methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate
CID 1183964
2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)quinazolin-4-amine
CID 7728865
N-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine
CID 134817436
2-phenyl-N-pyrrol-1-ylquinazolin-4-amine
CID 10108060

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine (CID 159596198) is 2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine is CN(C)c1ccccc1Nc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine?
The InChIKey is MKWKEBCEAZJLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c1-26(2)20-15-9-8-14-19(20)24-22-17-12-6-7-13-18(17)23-21(25-22)16-10-4-3-5-11-16/h3-15H,1-2H3,(H,23,24,25).
What are the key properties of 2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine?
2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine has a molecular weight of 340.43 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 159596198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).