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

C18H23N5O — CID 119783381

IUPAC(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESCc1ccc2c(c1)N(C(=O)c1cn(C3CCNCC3)nn1)CCC2
InChIInChI=1S/C18H23N5O/c1-13-4-5-14-3-2-10-22(17(14)11-13)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
InChIKeyLXFMIVMBMJTIOC-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.10
Rot. Bonds2

About (7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone

(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone (PubChem CID 119783381) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
PubChem CID119783381
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESCc1ccc2c(c1)N(C(=O)c1cn(C3CCNCC3)nn1)CCC2
InChIInChI=1S/C18H23N5O/c1-13-4-5-14-3-2-10-22(17(14)11-13)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
InChIKeyLXFMIVMBMJTIOC-UHFFFAOYSA-N
XLogP2.10
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119685855
(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
2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119730672
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-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 116567852
N-(2-methoxy-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119740560
(2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119774179
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614

Frequently Asked Questions

What is the IUPAC name of (7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The IUPAC name of (7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone (CID 119783381) is (7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone.
What is the SMILES notation for (7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The canonical SMILES for (7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone is Cc1ccc2c(c1)N(C(=O)c1cn(C3CCNCC3)nn1)CCC2.
What is the InChIKey of (7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The InChIKey is LXFMIVMBMJTIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-4-5-14-3-2-10-22(17(14)11-13)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.
What are the key properties of (7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone has a molecular weight of 325.42 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone is sourced from PubChem (CID 119783381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).