N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine

C17H14FN3 — CID 86305598

IUPACN-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine
SMILESFc1ccc2ncnc(NC3Cc4ccccc4C3)c2c1
InChIInChI=1S/C17H14FN3/c18-13-5-6-16-15(9-13)17(20-10-19-16)21-14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14H,7-8H2,(H,19,20,21)
InChIKeyBRNNACJZEHPFJY-UHFFFAOYSA-N
MW279.32 g/mol
LogP3.35
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine

N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine (PubChem CID 86305598) has the molecular formula C17H14FN3 and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine
PubChem CID86305598
Molecular FormulaC17H14FN3
Molecular Weight279.32 g/mol
Exact Mass279.12
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine
SMILESFc1ccc2ncnc(NC3Cc4ccccc4C3)c2c1
InChIInChI=1S/C17H14FN3/c18-13-5-6-16-15(9-13)17(20-10-19-16)21-14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14H,7-8H2,(H,19,20,21)
InChIKeyBRNNACJZEHPFJY-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 90446084
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine
CID 171358732
N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide
CID 90446066
N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-2-hydroxyacetamide
CID 90446549
6-fluoro-N-(1-pyridin-2-ylazetidin-3-yl)quinazolin-4-amine
CID 146079954
4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 44591865
N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]furan-2-carboxamide
CID 90446717
2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934512
6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine
CID 133377625
N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
CID 143957176
N-[7-[(6-fluoroquinazolin-4-yl)amino]-5,6,7,8-tetrahydroquinolin-3-yl]acetamide
CID 90446773
2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one
CID 126934861

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine (CID 86305598) is N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine is Fc1ccc2ncnc(NC3Cc4ccccc4C3)c2c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine?
The InChIKey is BRNNACJZEHPFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3/c18-13-5-6-16-15(9-13)17(20-10-19-16)21-14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14H,7-8H2,(H,19,20,21).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine?
N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine has a molecular weight of 279.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine is sourced from PubChem (CID 86305598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).