2-(aminomethyl)-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine

C17H17FN4O — CID 68517878

IUPAC2-(aminomethyl)-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2nc(CN)nc3cccc(F)c23)cc1
InChIInChI=1S/C17H17FN4O/c1-23-12-7-5-11(6-8-12)10-20-17-16-13(18)3-2-4-14(16)21-15(9-19)22-17/h2-8H,9-10,19H2,1H3,(H,20,21,22)
InChIKeyLHIKZRNLVCBCCU-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.85
Rot. Bonds5

About 2-(aminomethyl)-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine

2-(aminomethyl)-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 68517878) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-(aminomethyl)-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
PubChem CID68517878
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name2-(aminomethyl)-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2nc(CN)nc3cccc(F)c23)cc1
InChIInChI=1S/C17H17FN4O/c1-23-12-7-5-11(6-8-12)10-20-17-16-13(18)3-2-4-14(16)21-15(9-19)22-17/h2-8H,9-10,19H2,1H3,(H,20,21,22)
InChIKeyLHIKZRNLVCBCCU-UHFFFAOYSA-N
XLogP2.85
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 68516812
4-ethynyl-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-2-amine
CID 153457023
3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 62735098
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
benzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate
CID 68517635
4-fluoro-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine
CID 100690013
4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1385919
2-[(2-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 4548366
6-chloro-8-fluoro-N-[(4-methoxyphenyl)methyl]phthalazin-1-amine
CID 168957431
3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol
CID 68519751
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;(4-methoxyphenyl)methanamine
CID 138683371
N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-(aminomethyl)-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine (CID 68517878) is 2-(aminomethyl)-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine is COc1ccc(CNc2nc(CN)nc3cccc(F)c23)cc1.
What is the InChIKey of 2-(aminomethyl)-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is LHIKZRNLVCBCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-23-12-7-5-11(6-8-12)10-20-17-16-13(18)3-2-4-14(16)21-15(9-19)22-17/h2-8H,9-10,19H2,1H3,(H,20,21,22).
What are the key properties of 2-(aminomethyl)-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine?
2-(aminomethyl)-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 312.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 68517878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).