2-(6-fluoro-3,3,5-trimethyl-4H-isoquinolin-1-yl)quinazoline

C20H18FN3 — CID 135153030

IUPAC2-(6-fluoro-3,3,5-trimethyl-4H-isoquinolin-1-yl)quinazoline
SMILESCc1c(F)ccc2c1CC(C)(C)N=C2c1ncc2ccccc2n1
InChIInChI=1S/C20H18FN3/c1-12-15-10-20(2,3)24-18(14(15)8-9-16(12)21)19-22-11-13-6-4-5-7-17(13)23-19/h4-9,11H,10H2,1-3H3
InChIKeyCLGOIXHNZVPNKO-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.25
Rot. Bonds1

About 2-(6-fluoro-3,3,5-trimethyl-4H-isoquinolin-1-yl)quinazoline

2-(6-fluoro-3,3,5-trimethyl-4H-isoquinolin-1-yl)quinazoline (PubChem CID 135153030) has the molecular formula C20H18FN3 and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-(6-fluoro-3,3,5-trimethyl-4H-isoquinolin-1-yl)quinazoline.

Molecular Properties

Compound Name2-(6-fluoro-3,3,5-trimethyl-4H-isoquinolin-1-yl)quinazoline
PubChem CID135153030
Molecular FormulaC20H18FN3
Molecular Weight319.38 g/mol
Exact Mass319.15
IUPAC Name2-(6-fluoro-3,3,5-trimethyl-4H-isoquinolin-1-yl)quinazoline
SMILESCc1c(F)ccc2c1CC(C)(C)N=C2c1ncc2ccccc2n1
InChIInChI=1S/C20H18FN3/c1-12-15-10-20(2,3)24-18(14(15)8-9-16(12)21)19-22-11-13-6-4-5-7-17(13)23-19/h4-9,11H,10H2,1-3H3
InChIKeyCLGOIXHNZVPNKO-UHFFFAOYSA-N
XLogP4.25
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-3,3-dimethyl-4H-isoquinolin-1-yl)-8-fluoro-1,2,4-benzotriazine
CID 135152518
(E)-but-2-enedioic acid;5-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline
CID 23160793
6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline
CID 23160905
5-methoxy-3,3-dimethyl-1-quinolin-2-yl-4H-isoquinoline
CID 135152690
5-fluoro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline
CID 135152436
2-[6-(2,5-difluorophenyl)-5-methyl-2-pyridinyl]quinazoline
CID 67688535
2-phenylquinazoline
CID 158733567
N-(3,3-dimethyl-1-quinolin-3-yl-4H-isoquinolin-5-yl)-3-fluorobenzamide
CID 23160866
N-(3,3-dimethyl-1-quinolin-3-yl-4H-isoquinolin-5-yl)-4-fluorobenzamide
CID 23160773
2-methylquinazoline
CID 588987
(E)-2-(5-fluoro-3,3-dimethyl-4H-isoquinolin-1-yl)but-2-enedioic acid;quinoline
CID 174503567
5-quinazolin-2-ylpyrimidin-2-amine
CID 154196702

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3,3,5-trimethyl-4H-isoquinolin-1-yl)quinazoline?
The IUPAC name of 2-(6-fluoro-3,3,5-trimethyl-4H-isoquinolin-1-yl)quinazoline (CID 135153030) is 2-(6-fluoro-3,3,5-trimethyl-4H-isoquinolin-1-yl)quinazoline.
What is the SMILES notation for 2-(6-fluoro-3,3,5-trimethyl-4H-isoquinolin-1-yl)quinazoline?
The canonical SMILES for 2-(6-fluoro-3,3,5-trimethyl-4H-isoquinolin-1-yl)quinazoline is Cc1c(F)ccc2c1CC(C)(C)N=C2c1ncc2ccccc2n1.
What is the InChIKey of 2-(6-fluoro-3,3,5-trimethyl-4H-isoquinolin-1-yl)quinazoline?
The InChIKey is CLGOIXHNZVPNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3/c1-12-15-10-20(2,3)24-18(14(15)8-9-16(12)21)19-22-11-13-6-4-5-7-17(13)23-19/h4-9,11H,10H2,1-3H3.
What are the key properties of 2-(6-fluoro-3,3,5-trimethyl-4H-isoquinolin-1-yl)quinazoline?
2-(6-fluoro-3,3,5-trimethyl-4H-isoquinolin-1-yl)quinazoline has a molecular weight of 319.38 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3,3,5-trimethyl-4H-isoquinolin-1-yl)quinazoline is sourced from PubChem (CID 135153030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).