6-fluoro-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline

C18H16FN3 — CID 133428827

IUPAC6-fluoro-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline
SMILESCC1c2ccccc2CCN1c1ncnc2ccc(F)cc12
InChIInChI=1S/C18H16FN3/c1-12-15-5-3-2-4-13(15)8-9-22(12)18-16-10-14(19)6-7-17(16)20-11-21-18/h2-7,10-12H,8-9H2,1H3
InChIKeyVVYCWOWJPHGEQN-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.89
Rot. Bonds1

About 6-fluoro-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline

6-fluoro-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline (PubChem CID 133428827) has the molecular formula C18H16FN3 and a molecular weight of 293.35 g/mol. Its IUPAC name is 6-fluoro-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline.

Molecular Properties

Compound Name6-fluoro-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline
PubChem CID133428827
Molecular FormulaC18H16FN3
Molecular Weight293.35 g/mol
Exact Mass293.13
IUPAC Name6-fluoro-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline
SMILESCC1c2ccccc2CCN1c1ncnc2ccc(F)cc12
InChIInChI=1S/C18H16FN3/c1-12-15-5-3-2-4-13(15)8-9-22(12)18-16-10-14(19)6-7-17(16)20-11-21-18/h2-7,10-12H,8-9H2,1H3
InChIKeyVVYCWOWJPHGEQN-UHFFFAOYSA-N
XLogP3.89
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol
CID 97342141
4-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-6-fluoroquinazoline
CID 133309107
1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 133343935
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline
CID 133425208
4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline
CID 110433468
6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126891860
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155976434
N-(4-fluoro-2-methylphenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine;hydrochloride
CID 18921674
6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrido[2,3-b]pyrazine
CID 133343862
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
1-methyl-2-(2-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 141231762

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline?
The IUPAC name of 6-fluoro-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline (CID 133428827) is 6-fluoro-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline.
What is the SMILES notation for 6-fluoro-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline?
The canonical SMILES for 6-fluoro-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline is CC1c2ccccc2CCN1c1ncnc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline?
The InChIKey is VVYCWOWJPHGEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3/c1-12-15-5-3-2-4-13(15)8-9-22(12)18-16-10-14(19)6-7-17(16)20-11-21-18/h2-7,10-12H,8-9H2,1H3.
What are the key properties of 6-fluoro-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline?
6-fluoro-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline has a molecular weight of 293.35 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline is sourced from PubChem (CID 133428827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).