2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine

C17H15FN4 — CID 133422406

IUPAC2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine
SMILESNc1nc(N2CCc3cc(F)ccc3C2)nc2ccccc12
InChIInChI=1S/C17H15FN4/c18-13-6-5-12-10-22(8-7-11(12)9-13)17-20-15-4-2-1-3-14(15)16(19)21-17/h1-6,9H,7-8,10H2,(H2,19,20,21)
InChIKeyIJJRMKKIOKGSKO-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.91
Rot. Bonds1

About 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine

2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine (PubChem CID 133422406) has the molecular formula C17H15FN4 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine
PubChem CID133422406
Molecular FormulaC17H15FN4
Molecular Weight294.33 g/mol
Exact Mass294.13
IUPAC Name2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine
SMILESNc1nc(N2CCc3cc(F)ccc3C2)nc2ccccc12
InChIInChI=1S/C17H15FN4/c18-13-6-5-12-10-22(8-7-11(12)9-13)17-20-15-4-2-1-3-14(15)16(19)21-17/h1-6,9H,7-8,10H2,(H2,19,20,21)
InChIKeyIJJRMKKIOKGSKO-UHFFFAOYSA-N
XLogP2.91
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)quinazolin-4-amine
CID 154806379
2-(1-oxo-3,5-dihydro-2H-1λ4,4-benzothiazepin-4-yl)quinazolin-4-amine
CID 175883645
2-thiomorpholin-4-ylquinazolin-4-amine
CID 123991658
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine
CID 71690567
2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride
CID 52995833
2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52995741
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine
CID 80749587
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine
CID 18326759
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline
CID 68722852
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoroaniline
CID 62375892
6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine
CID 90680235
2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 4907991

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine?
The IUPAC name of 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine (CID 133422406) is 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine?
The canonical SMILES for 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine is Nc1nc(N2CCc3cc(F)ccc3C2)nc2ccccc12.
What is the InChIKey of 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine?
The InChIKey is IJJRMKKIOKGSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4/c18-13-6-5-12-10-22(8-7-11(12)9-13)17-20-15-4-2-1-3-14(15)16(19)21-17/h1-6,9H,7-8,10H2,(H2,19,20,21).
What are the key properties of 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine?
2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine has a molecular weight of 294.33 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine is sourced from PubChem (CID 133422406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).