N-[(4-aminophenyl)methyl]quinazolin-2-amine

C15H14N4 — CID 114789553

IUPACN-[(4-aminophenyl)methyl]quinazolin-2-amine
SMILESNc1ccc(CNc2ncc3ccccc3n2)cc1
InChIInChI=1S/C15H14N4/c16-13-7-5-11(6-8-13)9-17-15-18-10-12-3-1-2-4-14(12)19-15/h1-8,10H,9,16H2,(H,17,18,19)
InChIKeyIAEDBTJSFLVDKK-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.82
Rot. Bonds3

About N-[(4-aminophenyl)methyl]quinazolin-2-amine

N-[(4-aminophenyl)methyl]quinazolin-2-amine (PubChem CID 114789553) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]quinazolin-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]quinazolin-2-amine
PubChem CID114789553
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC NameN-[(4-aminophenyl)methyl]quinazolin-2-amine
SMILESNc1ccc(CNc2ncc3ccccc3n2)cc1
InChIInChI=1S/C15H14N4/c16-13-7-5-11(6-8-13)9-17-15-18-10-12-3-1-2-4-14(12)19-15/h1-8,10H,9,16H2,(H,17,18,19)
InChIKeyIAEDBTJSFLVDKK-UHFFFAOYSA-N
XLogP2.82
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(quinazolin-2-ylamino)methyl]phenol
CID 114789330
N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine
CID 114789025
N-[(4-nitrophenyl)methyl]quinazolin-2-amine
CID 114788894
N-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine
CID 167884841
N-(furan-3-ylmethyl)quinazolin-2-amine
CID 114789324
N'-quinazolin-2-ylethane-1,2-diamine
CID 114788771
N-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine
CID 114789197
1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870
N-[(2-methoxyphenyl)methyl]quinazolin-2-amine
CID 114788826
3-(quinazolin-2-ylamino)propane-1,2-diol
CID 114789175
N-(cyclopentylmethyl)quinazolin-2-amine
CID 114788866
N-(2,3-dimethoxypropyl)quinazolin-2-amine
CID 114100734

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]quinazolin-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]quinazolin-2-amine (CID 114789553) is N-[(4-aminophenyl)methyl]quinazolin-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]quinazolin-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]quinazolin-2-amine is Nc1ccc(CNc2ncc3ccccc3n2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]quinazolin-2-amine?
The InChIKey is IAEDBTJSFLVDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-13-7-5-11(6-8-13)9-17-15-18-10-12-3-1-2-4-14(12)19-15/h1-8,10H,9,16H2,(H,17,18,19).
What are the key properties of N-[(4-aminophenyl)methyl]quinazolin-2-amine?
N-[(4-aminophenyl)methyl]quinazolin-2-amine has a molecular weight of 250.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]quinazolin-2-amine is sourced from PubChem (CID 114789553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).