4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline

C17H20FN3 — CID 133425208

IUPAC4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline
SMILESFc1ccc2ncnc(N3CCCC4CCCCC43)c2c1
InChIInChI=1S/C17H20FN3/c18-13-7-8-15-14(10-13)17(20-11-19-15)21-9-3-5-12-4-1-2-6-16(12)21/h7-8,10-12,16H,1-6,9H2
InChIKeyWFYQDNIBSHHENH-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.93
Rot. Bonds1

About 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline (PubChem CID 133425208) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline.

Molecular Properties

Compound Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline
PubChem CID133425208
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline
SMILESFc1ccc2ncnc(N3CCCC4CCCCC43)c2c1
InChIInChI=1S/C17H20FN3/c18-13-7-8-15-14(10-13)17(20-11-19-15)21-9-3-5-12-4-1-2-6-16(12)21/h7-8,10-12,16H,1-6,9H2
InChIKeyWFYQDNIBSHHENH-UHFFFAOYSA-N
XLogP3.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline with MolForge

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Launch Full Analysis

Related Compounds

4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline
CID 110433468
4-(6-fluoroquinazolin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 133430021
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
6-fluoro-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline
CID 133428827
4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline
CID 133274317
6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline
CID 133275711
4-[(5aR,9aS)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepin-1-yl]thieno[2,3-d]pyrimidine
CID 97255565
1-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 18008426
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
CID 142582682
6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
CID 126810422
(5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol
CID 97342141

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline?
The IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline (CID 133425208) is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline.
What is the SMILES notation for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline?
The canonical SMILES for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline is Fc1ccc2ncnc(N3CCCC4CCCCC43)c2c1.
What is the InChIKey of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline?
The InChIKey is WFYQDNIBSHHENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c18-13-7-8-15-14(10-13)17(20-11-19-15)21-9-3-5-12-4-1-2-6-16(12)21/h7-8,10-12,16H,1-6,9H2.
What are the key properties of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline?
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline has a molecular weight of 285.37 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline is sourced from PubChem (CID 133425208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).