6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

C19H28ClN5O — CID 51131286

IUPAC6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCc1nn(C)c(N(C)C)c1CNC(C)c1ccc2c(c1)CCC(=O)N2.Cl
InChIInChI=1S/C19H27N5O.ClH/c1-12(14-6-8-17-15(10-14)7-9-18(25)21-17)20-11-16-13(2)22-24(5)19(16)23(3)4;/h6,8,10,12,20H,7,9,11H2,1-5H3,(H,21,25);1H
InChIKeySNQWDBPCOAAVMJ-UHFFFAOYSA-N
MW377.92 g/mol
LogP2.95
Rot. Bonds5

About 6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 51131286) has the molecular formula C19H28ClN5O and a molecular weight of 377.92 g/mol. Its IUPAC name is 6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID51131286
Molecular FormulaC19H28ClN5O
Molecular Weight377.92 g/mol
Exact Mass377.20
IUPAC Name6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCc1nn(C)c(N(C)C)c1CNC(C)c1ccc2c(c1)CCC(=O)N2.Cl
InChIInChI=1S/C19H27N5O.ClH/c1-12(14-6-8-17-15(10-14)7-9-18(25)21-17)20-11-16-13(2)22-24(5)19(16)23(3)4;/h6,8,10,12,20H,7,9,11H2,1-5H3,(H,21,25);1H
InChIKeySNQWDBPCOAAVMJ-UHFFFAOYSA-N
XLogP2.95
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride with MolForge

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Related Compounds

6-[(1S)-1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 94822379
6-[(1R)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 52534243
6-[(1S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 94182663
6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 95137572
6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 95582546
6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 95579584
N,N,1,3-tetramethyl-4-[[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrazol-5-amine
CID 95142460
6-[1-[2-(1-methylpyrrolidin-2-yl)ethylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 84599068
N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251
6-[(1R)-1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 51963768
6-[(1S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 97333638
N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine
CID 95139826

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 51131286) is 6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is Cc1nn(C)c(N(C)C)c1CNC(C)c1ccc2c(c1)CCC(=O)N2.Cl.
What is the InChIKey of 6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is SNQWDBPCOAAVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O.ClH/c1-12(14-6-8-17-15(10-14)7-9-18(25)21-17)20-11-16-13(2)22-24(5)19(16)23(3)4;/h6,8,10,12,20H,7,9,11H2,1-5H3,(H,21,25);1H.
What are the key properties of 6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 377.92 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 51131286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).