3-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-propylpyridin-2-one

C24H33N3O — CID 175834705

IUPAC3-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-propylpyridin-2-one
SMILESCCCn1cccc(N(c2ccc3c(c2)CN(CC2CC2)CC3)C(C)C)c1=O
InChIInChI=1S/C24H33N3O/c1-4-12-26-13-5-6-23(24(26)28)27(18(2)3)22-10-9-20-11-14-25(16-19-7-8-19)17-21(20)15-22/h5-6,9-10,13,15,18-19H,4,7-8,11-12,14,16-17H2,1-3H3
InChIKeyDPMUONXWEPRNCC-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.57
Rot. Bonds7

About 3-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-propylpyridin-2-one

3-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-propylpyridin-2-one (PubChem CID 175834705) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 3-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-propylpyridin-2-one.

Molecular Properties

Compound Name3-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-propylpyridin-2-one
PubChem CID175834705
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name3-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-propylpyridin-2-one
SMILESCCCn1cccc(N(c2ccc3c(c2)CN(CC2CC2)CC3)C(C)C)c1=O
InChIInChI=1S/C24H33N3O/c1-4-12-26-13-5-6-23(24(26)28)27(18(2)3)22-10-9-20-11-14-25(16-19-7-8-19)17-21(20)15-22/h5-6,9-10,13,15,18-19H,4,7-8,11-12,14,16-17H2,1-3H3
InChIKeyDPMUONXWEPRNCC-UHFFFAOYSA-N
XLogP4.57
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-propylpyridin-2-one with MolForge

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Related Compounds

3-[[2-(cyclobutylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-methylpyridin-2-one
CID 175834717
1-ethyl-3-[propan-2-yl-[2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]pyridin-2-one
CID 175834700
3-[[2-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-methylpyridin-2-one
CID 175834716
1-methyl-3-[propan-2-yl-[2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]pyridin-2-one
CID 175834721
2-(cyclopropylmethyl)-N-(1,3-dimethylpyrazol-4-yl)-N-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 156705903
5-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-(1,1,3,3-tetradeuteriopropan-2-yl)amino]-1-methylpyridin-2-one
CID 168873678
2-(cyclopropylmethyl)-N-ethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 156705986
N-cyclopropyl-2-(cyclopropylmethyl)-N-phenyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 156705872
5-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-(1,1,1,3,3-pentadeuteriopropan-2-yl)amino]-1-(dideuteriomethyl)pyridin-2-one
CID 168873681
2-(cyclopropylmethyl)-N-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 156705965
7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 157149924
2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 171523042

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-propylpyridin-2-one?
The IUPAC name of 3-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-propylpyridin-2-one (CID 175834705) is 3-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-propylpyridin-2-one.
What is the SMILES notation for 3-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-propylpyridin-2-one?
The canonical SMILES for 3-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-propylpyridin-2-one is CCCn1cccc(N(c2ccc3c(c2)CN(CC2CC2)CC3)C(C)C)c1=O.
What is the InChIKey of 3-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-propylpyridin-2-one?
The InChIKey is DPMUONXWEPRNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-4-12-26-13-5-6-23(24(26)28)27(18(2)3)22-10-9-20-11-14-25(16-19-7-8-19)17-21(20)15-22/h5-6,9-10,13,15,18-19H,4,7-8,11-12,14,16-17H2,1-3H3.
What are the key properties of 3-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-propylpyridin-2-one?
3-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-propylpyridin-2-one has a molecular weight of 379.55 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-propan-2-ylamino]-1-propylpyridin-2-one is sourced from PubChem (CID 175834705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).