2-(pyrrolidine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride

C15H20ClN3O2 — CID 119689903

IUPAC2-(pyrrolidine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1Cc2ccccc2CN1C(=O)C1CCNC1
InChIInChI=1S/C15H19N3O2.ClH/c16-14(19)13-7-10-3-1-2-4-12(10)9-18(13)15(20)11-5-6-17-8-11;/h1-4,11,13,17H,5-9H2,(H2,16,19);1H
InChIKeySJQZIKDJSXNSBZ-UHFFFAOYSA-N
MW309.80 g/mol
LogP0.46
Rot. Bonds2

About 2-(pyrrolidine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride

2-(pyrrolidine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride (PubChem CID 119689903) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-(pyrrolidine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(pyrrolidine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride
PubChem CID119689903
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-(pyrrolidine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1Cc2ccccc2CN1C(=O)C1CCNC1
InChIInChI=1S/C15H19N3O2.ClH/c16-14(19)13-7-10-3-1-2-4-12(10)9-18(13)15(20)11-5-6-17-8-11;/h1-4,11,13,17H,5-9H2,(H2,16,19);1H
InChIKeySJQZIKDJSXNSBZ-UHFFFAOYSA-N
XLogP0.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-2-(piperidine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 61158579
1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119777889
1-(2,3-dihydro-1H-indene-2-carbonyl)piperazine-2-carboxamide
CID 106893368
(3S)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 125119699
(3R)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 125119701
(3R)-2-[1-(4-chlorobenzoyl)piperidine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 39952355
(3S)-2-(4-amino-1H-pyrazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 63104138
(3R)-2-[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 39964905
2-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 119689884
2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 17438722
(3S)-2-(3,5-dimethyloxolane-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 136581686
(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone
CID 119737819

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of 2-(pyrrolidine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride (CID 119689903) is 2-(pyrrolidine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-(pyrrolidine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for 2-(pyrrolidine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride is Cl.NC(=O)C1Cc2ccccc2CN1C(=O)C1CCNC1.
What is the InChIKey of 2-(pyrrolidine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride?
The InChIKey is SJQZIKDJSXNSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c16-14(19)13-7-10-3-1-2-4-12(10)9-18(13)15(20)11-5-6-17-8-11;/h1-4,11,13,17H,5-9H2,(H2,16,19);1H.
What are the key properties of 2-(pyrrolidine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride?
2-(pyrrolidine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 119689903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).