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

C15H19N3S — CID 133394964

IUPAC4-(3-methylsulfanylazepan-1-yl)quinazoline
SMILESCSC1CCCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C15H19N3S/c1-19-12-6-4-5-9-18(10-12)15-13-7-2-3-8-14(13)16-11-17-15/h2-3,7-8,11-12H,4-6,9-10H2,1H3
InChIKeyMQWPMMYFFVQNFA-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.35
Rot. Bonds2

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

4-(3-methylsulfanylazepan-1-yl)quinazoline (PubChem CID 133394964) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-(3-methylsulfanylazepan-1-yl)quinazoline.

Molecular Properties

Compound Name4-(3-methylsulfanylazepan-1-yl)quinazoline
PubChem CID133394964
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name4-(3-methylsulfanylazepan-1-yl)quinazoline
SMILESCSC1CCCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C15H19N3S/c1-19-12-6-4-5-9-18(10-12)15-13-7-2-3-8-14(13)16-11-17-15/h2-3,7-8,11-12H,4-6,9-10H2,1H3
InChIKeyMQWPMMYFFVQNFA-UHFFFAOYSA-N
XLogP3.35
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline
CID 133395119
4-(azepan-1-yl)quinazoline
CID 5207391
4-(3-chloropiperidin-1-yl)quinazoline
CID 55184238
4-(3-methylsulfanylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133395111
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)quinazoline
CID 49227812
4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]quinazoline
CID 95155089
(3S)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 94184844
1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol
CID 133397903
N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559
N-methylsulfanyl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]propan-2-amine
CID 142582663
4-(3-chloro-4-methylpiperidin-1-yl)quinazoline
CID 102960852
4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline
CID 63389905

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfanylazepan-1-yl)quinazoline?
The IUPAC name of 4-(3-methylsulfanylazepan-1-yl)quinazoline (CID 133394964) is 4-(3-methylsulfanylazepan-1-yl)quinazoline.
What is the SMILES notation for 4-(3-methylsulfanylazepan-1-yl)quinazoline?
The canonical SMILES for 4-(3-methylsulfanylazepan-1-yl)quinazoline is CSC1CCCCN(c2ncnc3ccccc23)C1.
What is the InChIKey of 4-(3-methylsulfanylazepan-1-yl)quinazoline?
The InChIKey is MQWPMMYFFVQNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-19-12-6-4-5-9-18(10-12)15-13-7-2-3-8-14(13)16-11-17-15/h2-3,7-8,11-12H,4-6,9-10H2,1H3.
What are the key properties of 4-(3-methylsulfanylazepan-1-yl)quinazoline?
4-(3-methylsulfanylazepan-1-yl)quinazoline has a molecular weight of 273.40 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfanylazepan-1-yl)quinazoline is sourced from PubChem (CID 133394964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).