N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine

C15H11ClFN3 — CID 78901321

IUPACN-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine
SMILESFc1ccc2ncnc(NCc3cccc(Cl)c3)c2c1
InChIInChI=1S/C15H11ClFN3/c16-11-3-1-2-10(6-11)8-18-15-13-7-12(17)4-5-14(13)19-9-20-15/h1-7,9H,8H2,(H,18,19,20)
InChIKeyRNOJCGONGCNCNH-UHFFFAOYSA-N
MW287.73 g/mol
LogP4.03
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine

N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine (PubChem CID 78901321) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine
PubChem CID78901321
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC NameN-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine
SMILESFc1ccc2ncnc(NCc3cccc(Cl)c3)c2c1
InChIInChI=1S/C15H11ClFN3/c16-11-3-1-2-10(6-11)8-18-15-13-7-12(17)4-5-14(13)19-9-20-15/h1-7,9H,8H2,(H,18,19,20)
InChIKeyRNOJCGONGCNCNH-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 133292923
6-N-[(5-bromothiophen-2-yl)methyl]-4-N-[(3-chlorophenyl)methyl]quinazoline-4,6-diamine
CID 102099858
N-(1,3-benzothiazol-5-ylmethyl)-6-fluoroquinazolin-4-amine
CID 51037841
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-fluoroquinazolin-4-amine
CID 78901330
4-N-[2-(3-chlorophenyl)ethyl]quinazoline-4,6-diamine
CID 509543
7-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 142682778
N-(2,5-dichlorophenyl)-6-fluoroquinazolin-4-amine
CID 110434593
6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 70854816
4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80833431
N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine;6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;methane
CID 160516491
2-N-[(3-chlorophenyl)methyl]-4-fluorobenzene-1,2-diamine
CID 55086539
N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine
CID 63373228

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine (CID 78901321) is N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine is Fc1ccc2ncnc(NCc3cccc(Cl)c3)c2c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine?
The InChIKey is RNOJCGONGCNCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c16-11-3-1-2-10(6-11)8-18-15-13-7-12(17)4-5-14(13)19-9-20-15/h1-7,9H,8H2,(H,18,19,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine?
N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine has a molecular weight of 287.73 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine is sourced from PubChem (CID 78901321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).