N-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine

C23H22N4 — CID 159200740

IUPACN-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine
SMILESCc1cc2ncnc(Nc3ccc([C@@H](N)c4ccccc4)cc3)c2cc1C
InChIInChI=1S/C23H22N4/c1-15-12-20-21(13-16(15)2)25-14-26-23(20)27-19-10-8-18(9-11-19)22(24)17-6-4-3-5-7-17/h3-14,22H,24H2,1-2H3,(H,25,26,27)/t22-/m0/s1
InChIKeyCICYWYAXMZEMRZ-QFIPXVFZSA-N
MW354.46 g/mol
LogP5.04
Rot. Bonds4

About N-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine

N-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine (PubChem CID 159200740) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine
PubChem CID159200740
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC NameN-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine
SMILESCc1cc2ncnc(Nc3ccc([C@@H](N)c4ccccc4)cc3)c2cc1C
InChIInChI=1S/C23H22N4/c1-15-12-20-21(13-16(15)2)25-14-26-23(20)27-19-10-8-18(9-11-19)22(24)17-6-4-3-5-7-17/h3-14,22H,24H2,1-2H3,(H,25,26,27)/t22-/m0/s1
InChIKeyCICYWYAXMZEMRZ-QFIPXVFZSA-N
XLogP5.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;methane
CID 169425535
4-[(6,7-dimethylquinazolin-4-yl)amino]phenol
CID 18685574
6,7-dimethyl-N-(2-methylphenyl)quinazolin-4-amine
CID 18685587
6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine
CID 122628612
N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 169427940
2,6-dichloro-4-[(6,7-dimethylquinazolin-4-yl)amino]phenol;dihydrate
CID 162053328
4-[(6,7-dimethylquinazolin-4-yl)amino]-2-iodophenol
CID 18685568
N'-[[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethyl]-N-propylmethanediamine
CID 145172257
N-(3,5-dibromo-4-methylphenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 160598444
ethane;methane;methylidenevanadium;6-methyl-N-phenyl-7-phosphanyloxyquinazolin-4-amine
CID 161379653
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine
CID 142010031

Frequently Asked Questions

What is the IUPAC name of N-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine?
The IUPAC name of N-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine (CID 159200740) is N-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine.
What is the SMILES notation for N-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine?
The canonical SMILES for N-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine is Cc1cc2ncnc(Nc3ccc([C@@H](N)c4ccccc4)cc3)c2cc1C.
What is the InChIKey of N-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine?
The InChIKey is CICYWYAXMZEMRZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22N4/c1-15-12-20-21(13-16(15)2)25-14-26-23(20)27-19-10-8-18(9-11-19)22(24)17-6-4-3-5-7-17/h3-14,22H,24H2,1-2H3,(H,25,26,27)/t22-/m0/s1.
What are the key properties of N-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine?
N-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine has a molecular weight of 354.46 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine is sourced from PubChem (CID 159200740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).