N-[4-(ethoxymethyl)phenyl]-6-fluoroquinazolin-4-amine

C17H16FN3O — CID 133428300

IUPACN-[4-(ethoxymethyl)phenyl]-6-fluoroquinazolin-4-amine
SMILESCCOCc1ccc(Nc2ncnc3ccc(F)cc23)cc1
InChIInChI=1S/C17H16FN3O/c1-2-22-10-12-3-6-14(7-4-12)21-17-15-9-13(18)5-8-16(15)19-11-20-17/h3-9,11H,2,10H2,1H3,(H,19,20,21)
InChIKeyPDLUFMLQDJQOCH-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.05
Rot. Bonds5

About N-[4-(ethoxymethyl)phenyl]-6-fluoroquinazolin-4-amine

N-[4-(ethoxymethyl)phenyl]-6-fluoroquinazolin-4-amine (PubChem CID 133428300) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[4-(ethoxymethyl)phenyl]-6-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-[4-(ethoxymethyl)phenyl]-6-fluoroquinazolin-4-amine
PubChem CID133428300
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-[4-(ethoxymethyl)phenyl]-6-fluoroquinazolin-4-amine
SMILESCCOCc1ccc(Nc2ncnc3ccc(F)cc23)cc1
InChIInChI=1S/C17H16FN3O/c1-2-22-10-12-3-6-14(7-4-12)21-17-15-9-13(18)5-8-16(15)19-11-20-17/h3-9,11H,2,10H2,1H3,(H,19,20,21)
InChIKeyPDLUFMLQDJQOCH-UHFFFAOYSA-N
XLogP4.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
4-[[4-[4-(2-Cyanoethoxymethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile
CID 5275828
N-(3-methoxyphenyl)quinazolin-4-amine
CID 712193
7-methoxy-N-phenylquinazolin-4-amine
CID 5328190
5-((7-(Benzyloxy)quinazolin-4-yl)amino)-4-fluoro-2-methylphenol
CID 16759369
3-[4-(3-Fluoroanilino)quinazolin-6-yl]prop-2-en-1-ol
CID 57339807
N-(4-methoxyphenyl)-6-methylquinazolin-4-amine
CID 721008
2-(benzyloxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 9985117
6-[(Benzyloxy)methyl]-5-{4-[(quinolin-3-ylmethyl)amino]phenyl}pyrimidine-2,4-diamine
CID 11655578
(16E)-14-methyl-19-oxa-5,7,14,23,27-pentazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
CID 16739951
N-[4-[(2S)-morpholin-2-yl]phenyl]quinolin-2-amine
CID 68325551
Ethyl 4-[(6-methylquinazolin-4-yl)amino]benzoate
CID 721015

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethoxymethyl)phenyl]-6-fluoroquinazolin-4-amine?
The IUPAC name of N-[4-(ethoxymethyl)phenyl]-6-fluoroquinazolin-4-amine (CID 133428300) is N-[4-(ethoxymethyl)phenyl]-6-fluoroquinazolin-4-amine.
What is the SMILES notation for N-[4-(ethoxymethyl)phenyl]-6-fluoroquinazolin-4-amine?
The canonical SMILES for N-[4-(ethoxymethyl)phenyl]-6-fluoroquinazolin-4-amine is CCOCc1ccc(Nc2ncnc3ccc(F)cc23)cc1.
What is the InChIKey of N-[4-(ethoxymethyl)phenyl]-6-fluoroquinazolin-4-amine?
The InChIKey is PDLUFMLQDJQOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-2-22-10-12-3-6-14(7-4-12)21-17-15-9-13(18)5-8-16(15)19-11-20-17/h3-9,11H,2,10H2,1H3,(H,19,20,21).
What are the key properties of N-[4-(ethoxymethyl)phenyl]-6-fluoroquinazolin-4-amine?
N-[4-(ethoxymethyl)phenyl]-6-fluoroquinazolin-4-amine has a molecular weight of 297.33 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethoxymethyl)phenyl]-6-fluoroquinazolin-4-amine is sourced from PubChem (CID 133428300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).