N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine

C17H16FN3O2 — CID 1474879

IUPACN-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OC
InChIInChI=1S/C17H16FN3O2/c1-22-15-7-13-14(8-16(15)23-2)20-10-21-17(13)19-9-11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-2H3,(H,19,20,21)
InChIKeyLASSDHMCHFNZJI-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.40
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine

N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine (PubChem CID 1474879) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
PubChem CID1474879
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC NameN-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OC
InChIInChI=1S/C17H16FN3O2/c1-22-15-7-13-14(8-16(15)23-2)20-10-21-17(13)19-9-11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-2H3,(H,19,20,21)
InChIKeyLASSDHMCHFNZJI-UHFFFAOYSA-N
XLogP3.40
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenyl]phosphonous acid
CID 154672976
bis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium
CID 155026757
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541754
N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 133292923
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine
CID 119045565
8-[4-(benzylamino)-7-methoxyquinazolin-6-yl]oxy-1-hydroxyoctan-2-one
CID 58172505
N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine
CID 167659658
7-N-ethyl-4-N-[(4-fluorophenyl)methyl]-6-nitroquinazoline-4,7-diamine
CID 22921739
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 87021045
1-(3-chloro-4-fluorophenyl)-3-[3-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenyl]urea
CID 162663780
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-6,7-dimethoxyquinazolin-4-amine
CID 71761600

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine (CID 1474879) is N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine is COc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OC.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is LASSDHMCHFNZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-22-15-7-13-14(8-16(15)23-2)20-10-21-17(13)19-9-11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-2H3,(H,19,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine?
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 313.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 1474879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).