4-(8-fluoroquinolin-3-yl)-1,2,2-trimethylquinazoline

C20H18FN3 — CID 167451965

IUPAC4-(8-fluoroquinolin-3-yl)-1,2,2-trimethylquinazoline
SMILESCN1c2ccccc2C(c2cnc3c(F)cccc3c2)=NC1(C)C
InChIInChI=1S/C20H18FN3/c1-20(2)23-18(15-8-4-5-10-17(15)24(20)3)14-11-13-7-6-9-16(21)19(13)22-12-14/h4-12H,1-3H3
InChIKeyCVUGXLKNHFKCFM-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.40
Rot. Bonds1

About 4-(8-fluoroquinolin-3-yl)-1,2,2-trimethylquinazoline

4-(8-fluoroquinolin-3-yl)-1,2,2-trimethylquinazoline (PubChem CID 167451965) has the molecular formula C20H18FN3 and a molecular weight of 319.38 g/mol. Its IUPAC name is 4-(8-fluoroquinolin-3-yl)-1,2,2-trimethylquinazoline.

Molecular Properties

Compound Name4-(8-fluoroquinolin-3-yl)-1,2,2-trimethylquinazoline
PubChem CID167451965
Molecular FormulaC20H18FN3
Molecular Weight319.38 g/mol
Exact Mass319.15
IUPAC Name4-(8-fluoroquinolin-3-yl)-1,2,2-trimethylquinazoline
SMILESCN1c2ccccc2C(c2cnc3c(F)cccc3c2)=NC1(C)C
InChIInChI=1S/C20H18FN3/c1-20(2)23-18(15-8-4-5-10-17(15)24(20)3)14-11-13-7-6-9-16(21)19(13)22-12-14/h4-12H,1-3H3
InChIKeyCVUGXLKNHFKCFM-UHFFFAOYSA-N
XLogP4.40
TPSA28.49 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 ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(8-fluoroquinolin-3-yl)-2,2-dimethyl-1,3-benzothiazine
CID 165392471
5-fluoro-3,3,4,4-tetramethyl-1-(8-methylquinolin-3-yl)isoquinoline
CID 23160741
7,8-dichloro-4-(8-fluoroquinolin-3-yl)-2,2-dimethyl-1,3-benzothiazine
CID 165392469
9-fluoro-5-(8-fluoroquinolin-3-yl)-2,2-dimethyl-3H-1,4-benzoxazepine
CID 67114177
3-(3,3-dimethyl-6-pyridin-2-yl-4H-pyrrolo[1,2-a]pyrazin-1-yl)-8-fluoroquinoline
CID 156881432
5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline
CID 23160881
8-bromo-3-(3,3-dimethyl-4H-isoquinolin-1-yl)quinoline
CID 90308670
(4S)-4-benzyl-2-(8-fluoroquinolin-3-yl)-4,6,6-trimethyl-5H-1,3-oxazine
CID 146460646
3-(1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-4-yl)-8-fluoroquinoline
CID 176667061
2-[3-(8-fluoroquinolin-3-yl)-4-pyridinyl]propan-1-ol
CID 167843526
(8-fluoroquinolin-3-yl)boronic acid
CID 67114195
(3S,4S)-5-bromo-1-(8-fluoroquinolin-3-yl)-3,4,6-trimethyl-3,4-dihydroisoquinoline
CID 171488615

Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoroquinolin-3-yl)-1,2,2-trimethylquinazoline?
The IUPAC name of 4-(8-fluoroquinolin-3-yl)-1,2,2-trimethylquinazoline (CID 167451965) is 4-(8-fluoroquinolin-3-yl)-1,2,2-trimethylquinazoline.
What is the SMILES notation for 4-(8-fluoroquinolin-3-yl)-1,2,2-trimethylquinazoline?
The canonical SMILES for 4-(8-fluoroquinolin-3-yl)-1,2,2-trimethylquinazoline is CN1c2ccccc2C(c2cnc3c(F)cccc3c2)=NC1(C)C.
What is the InChIKey of 4-(8-fluoroquinolin-3-yl)-1,2,2-trimethylquinazoline?
The InChIKey is CVUGXLKNHFKCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3/c1-20(2)23-18(15-8-4-5-10-17(15)24(20)3)14-11-13-7-6-9-16(21)19(13)22-12-14/h4-12H,1-3H3.
What are the key properties of 4-(8-fluoroquinolin-3-yl)-1,2,2-trimethylquinazoline?
4-(8-fluoroquinolin-3-yl)-1,2,2-trimethylquinazoline has a molecular weight of 319.38 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-fluoroquinolin-3-yl)-1,2,2-trimethylquinazoline is sourced from PubChem (CID 167451965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).