N-benzyl-6-chloro-2-(2-fluorophenyl)quinazolin-4-amine

C21H15ClFN3 — CID 59213559

IUPACN-benzyl-6-chloro-2-(2-fluorophenyl)quinazolin-4-amine
SMILESFc1ccccc1-c1nc(NCc2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C21H15ClFN3/c22-15-10-11-19-17(12-15)20(24-13-14-6-2-1-3-7-14)26-21(25-19)16-8-4-5-9-18(16)23/h1-12H,13H2,(H,24,25,26)
InChIKeyFTTQWLJHXQQDMP-UHFFFAOYSA-N
MW363.82 g/mol
LogP5.70
Rot. Bonds4

About N-benzyl-6-chloro-2-(2-fluorophenyl)quinazolin-4-amine

N-benzyl-6-chloro-2-(2-fluorophenyl)quinazolin-4-amine (PubChem CID 59213559) has the molecular formula C21H15ClFN3 and a molecular weight of 363.82 g/mol. Its IUPAC name is N-benzyl-6-chloro-2-(2-fluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-2-(2-fluorophenyl)quinazolin-4-amine
PubChem CID59213559
Molecular FormulaC21H15ClFN3
Molecular Weight363.82 g/mol
Exact Mass363.09
IUPAC NameN-benzyl-6-chloro-2-(2-fluorophenyl)quinazolin-4-amine
SMILESFc1ccccc1-c1nc(NCc2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C21H15ClFN3/c22-15-10-11-19-17(12-15)20(24-13-14-6-2-1-3-7-14)26-21(25-19)16-8-4-5-9-18(16)23/h1-12H,13H2,(H,24,25,26)
InChIKeyFTTQWLJHXQQDMP-UHFFFAOYSA-N
XLogP5.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.82
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine
CID 46224520
N-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine
CID 172698889
N'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine
CID 24860253
N-benzyl-5-chloro-1H-indazol-3-amine
CID 142275552
N'-[6-chloro-2-(2-fluorophenyl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 59213757
6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine
CID 64981014
N-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride
CID 19392239
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 10154692
6-chloro-2-(2,5-dichlorothiophen-3-yl)-N-ethylquinazolin-4-amine
CID 107966565
N-benzyl-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine
CID 3233234
6-chloro-2-(2-phenylethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinazolin-4-amine
CID 56688447
8-chloro-10-(2-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
CID 5136482

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-2-(2-fluorophenyl)quinazolin-4-amine?
The IUPAC name of N-benzyl-6-chloro-2-(2-fluorophenyl)quinazolin-4-amine (CID 59213559) is N-benzyl-6-chloro-2-(2-fluorophenyl)quinazolin-4-amine.
What is the SMILES notation for N-benzyl-6-chloro-2-(2-fluorophenyl)quinazolin-4-amine?
The canonical SMILES for N-benzyl-6-chloro-2-(2-fluorophenyl)quinazolin-4-amine is Fc1ccccc1-c1nc(NCc2ccccc2)c2cc(Cl)ccc2n1.
What is the InChIKey of N-benzyl-6-chloro-2-(2-fluorophenyl)quinazolin-4-amine?
The InChIKey is FTTQWLJHXQQDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3/c22-15-10-11-19-17(12-15)20(24-13-14-6-2-1-3-7-14)26-21(25-19)16-8-4-5-9-18(16)23/h1-12H,13H2,(H,24,25,26).
What are the key properties of N-benzyl-6-chloro-2-(2-fluorophenyl)quinazolin-4-amine?
N-benzyl-6-chloro-2-(2-fluorophenyl)quinazolin-4-amine has a molecular weight of 363.82 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-2-(2-fluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 59213559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).