(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride

C18H24ClN5O — CID 119685855

IUPAC(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C18H23N5O.ClH/c1-13-4-5-17-14(11-13)3-2-10-22(17)18(24)16-12-23(21-20-16)15-6-8-19-9-7-15;/h4-5,11-12,15,19H,2-3,6-10H2,1H3;1H
InChIKeyKHQSZJWYEZXNGZ-UHFFFAOYSA-N
MW361.88 g/mol
LogP2.53
Rot. Bonds2

About (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride (PubChem CID 119685855) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
PubChem CID119685855
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C18H23N5O.ClH/c1-13-4-5-17-14(11-13)3-2-10-22(17)18(24)16-12-23(21-20-16)15-6-8-19-9-7-15;/h4-5,11-12,15,19H,2-3,6-10H2,1H3;1H
InChIKeyKHQSZJWYEZXNGZ-UHFFFAOYSA-N
XLogP2.53
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride with MolForge

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Related Compounds

(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119783381
(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119889132
(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119789022
(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119899705
(4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119788759
N-(3-methylphenyl)-4-(1-piperidin-4-yltriazole-4-carbonyl)piperazine-1-carboxamide;hydrochloride
CID 119765327
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252
2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119730672
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119269291
[3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119874479
(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119876922
2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 116567852

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride?
The IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride (CID 119685855) is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride?
The canonical SMILES for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride is Cc1ccc2c(c1)CCCN2C(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride?
The InChIKey is KHQSZJWYEZXNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O.ClH/c1-13-4-5-17-14(11-13)3-2-10-22(17)18(24)16-12-23(21-20-16)15-6-8-19-9-7-15;/h4-5,11-12,15,19H,2-3,6-10H2,1H3;1H.
What are the key properties of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride?
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride has a molecular weight of 361.88 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119685855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).