6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline

C16H21N3S — CID 133395119

IUPAC6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline
SMILESCSC1CCCCN(c2ncnc3ccc(C)cc23)C1
InChIInChI=1S/C16H21N3S/c1-12-6-7-15-14(9-12)16(18-11-17-15)19-8-4-3-5-13(10-19)20-2/h6-7,9,11,13H,3-5,8,10H2,1-2H3
InChIKeySQYMJMNTEBZOHS-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.66
Rot. Bonds2

About 6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline

6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline (PubChem CID 133395119) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline.

Molecular Properties

Compound Name6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline
PubChem CID133395119
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline
SMILESCSC1CCCCN(c2ncnc3ccc(C)cc23)C1
InChIInChI=1S/C16H21N3S/c1-12-6-7-15-14(9-12)16(18-11-17-15)19-8-4-3-5-13(10-19)20-2/h6-7,9,11,13H,3-5,8,10H2,1-2H3
InChIKeySQYMJMNTEBZOHS-UHFFFAOYSA-N
XLogP3.66
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylsulfanylazepan-1-yl)quinazoline
CID 133394964
4-(4-cyclohexyloxypiperidin-1-yl)-6-methylquinazoline
CID 133278333
trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol
CID 56853258
4-(3-methylsulfanylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133395111
4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-6-methylquinazoline
CID 133292091
N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 133278233
tert-butyl N-methyl-N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]carbamate
CID 133300739
1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine
CID 142582714
4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline
CID 136520741
6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
CID 133300671
1-(4-methyl-3-nitro-2-pyridinyl)-3-methylsulfanylazepane
CID 133394967
(3S)-1-(6-methylquinazolin-4-yl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine
CID 172890523

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline?
The IUPAC name of 6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline (CID 133395119) is 6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline.
What is the SMILES notation for 6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline?
The canonical SMILES for 6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline is CSC1CCCCN(c2ncnc3ccc(C)cc23)C1.
What is the InChIKey of 6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline?
The InChIKey is SQYMJMNTEBZOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-12-6-7-15-14(9-12)16(18-11-17-15)19-8-4-3-5-13(10-19)20-2/h6-7,9,11,13H,3-5,8,10H2,1-2H3.
What are the key properties of 6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline?
6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline has a molecular weight of 287.43 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline is sourced from PubChem (CID 133395119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).