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

C19H27N5O — CID 94822379

IUPAC6-[(1S)-1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nn(C)c(N(C)C)c1CN[C@@H](C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H27N5O/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)/t12-/m0/s1
InChIKeyPIHMLWCIMZYSFH-LBPRGKRZSA-N
MW341.46 g/mol
LogP2.53
Rot. Bonds5

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

6-[(1S)-1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 94822379) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-[(1S)-1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(1S)-1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID94822379
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name6-[(1S)-1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nn(C)c(N(C)C)c1CN[C@@H](C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H27N5O/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)/t12-/m0/s1
InChIKeyPIHMLWCIMZYSFH-LBPRGKRZSA-N
XLogP2.53
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 51131286
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
4-[[[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 94822156
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

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(1S)-1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 94822379) is 6-[(1S)-1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(1S)-1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(1S)-1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one is Cc1nn(C)c(N(C)C)c1CN[C@@H](C)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[(1S)-1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PIHMLWCIMZYSFH-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H27N5O/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)/t12-/m0/s1.
What are the key properties of 6-[(1S)-1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[(1S)-1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 341.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 94822379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).