1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine

C14H17ClN4S — CID 142582714

IUPAC1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine
SMILESCSNC1CCCN(c2ncnc3ccc(Cl)cc23)C1
InChIInChI=1S/C14H17ClN4S/c1-20-18-11-3-2-6-19(8-11)14-12-7-10(15)4-5-13(12)16-9-17-14/h4-5,7,9,11,18H,2-3,6,8H2,1H3
InChIKeyGBIAXZUAILDDHC-UHFFFAOYSA-N
MW308.84 g/mol
LogP3.12
Rot. Bonds3

About 1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine

1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine (PubChem CID 142582714) has the molecular formula C14H17ClN4S and a molecular weight of 308.84 g/mol. Its IUPAC name is 1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine.

Molecular Properties

Compound Name1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine
PubChem CID142582714
Molecular FormulaC14H17ClN4S
Molecular Weight308.84 g/mol
Exact Mass308.09
IUPAC Name1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine
SMILESCSNC1CCCN(c2ncnc3ccc(Cl)cc23)C1
InChIInChI=1S/C14H17ClN4S/c1-20-18-11-3-2-6-19(8-11)14-12-7-10(15)4-5-13(12)16-9-17-14/h4-5,7,9,11,18H,2-3,6,8H2,1H3
InChIKeyGBIAXZUAILDDHC-UHFFFAOYSA-N
XLogP3.12
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-(2-methylpiperidin-1-yl)quinazoline
CID 172903082
6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline
CID 24742050
1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 86885508
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
CID 142582682
1-[4-(6-chloroquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 171328778
1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163352823
6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline
CID 133395119
7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline
CID 86949423
6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
CID 69016475
4-(3-chloropiperidin-1-yl)quinazoline
CID 55184238
N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide
CID 36834296
N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171997340

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine?
The IUPAC name of 1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine (CID 142582714) is 1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine.
What is the SMILES notation for 1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine?
The canonical SMILES for 1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine is CSNC1CCCN(c2ncnc3ccc(Cl)cc23)C1.
What is the InChIKey of 1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine?
The InChIKey is GBIAXZUAILDDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4S/c1-20-18-11-3-2-6-19(8-11)14-12-7-10(15)4-5-13(12)16-9-17-14/h4-5,7,9,11,18H,2-3,6,8H2,1H3.
What are the key properties of 1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine?
1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine has a molecular weight of 308.84 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine is sourced from PubChem (CID 142582714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).