N-(1-hydroxypropan-2-yl)-N-methylisoquinoline-1-carboxamide

C14H16N2O2 — CID 113337599

IUPACN-(1-hydroxypropan-2-yl)-N-methylisoquinoline-1-carboxamide
SMILESCC(CO)N(C)C(=O)c1nccc2ccccc12
InChIInChI=1S/C14H16N2O2/c1-10(9-17)16(2)14(18)13-12-6-4-3-5-11(12)7-8-15-13/h3-8,10,17H,9H2,1-2H3
InChIKeyOZKVVVQATLGVHQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.69
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-N-methylisoquinoline-1-carboxamide

N-(1-hydroxypropan-2-yl)-N-methylisoquinoline-1-carboxamide (PubChem CID 113337599) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methylisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methylisoquinoline-1-carboxamide
PubChem CID113337599
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methylisoquinoline-1-carboxamide
SMILESCC(CO)N(C)C(=O)c1nccc2ccccc12
InChIInChI=1S/C14H16N2O2/c1-10(9-17)16(2)14(18)13-12-6-4-3-5-11(12)7-8-15-13/h3-8,10,17H,9H2,1-2H3
InChIKeyOZKVVVQATLGVHQ-UHFFFAOYSA-N
XLogP1.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-heptan-4-yl-N-methylisoquinoline-1-carboxamide
CID 138509693
N-(2-aminopropyl)-N-methylisoquinoline-1-carboxamide
CID 63755212
N-(2-chloropropyl)isoquinoline-1-carboxamide
CID 114296363
propan-2-yl isoquinoline-1-carboxylate
CID 57319572
N-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide
CID 78918007
N-(4-hydroxybutan-2-yl)isoquinoline-1-carboxamide
CID 81042151
ethyl 3-isoquinolin-1-yl-2-methyl-3-oxopropanoate
CID 70696436
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)isoquinoline-1-carboxamide
CID 107482402
N-[(2R)-2-(dimethylamino)-2-phenylethyl]isoquinoline-1-carboxamide
CID 52821972
2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide
CID 104551638
N-(2-aminoethyl)-N-butylisoquinoline-1-carboxamide
CID 63753520
N-(3-amino-2-methylpropyl)isoquinoline-1-carboxamide
CID 62667809

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methylisoquinoline-1-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methylisoquinoline-1-carboxamide (CID 113337599) is N-(1-hydroxypropan-2-yl)-N-methylisoquinoline-1-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methylisoquinoline-1-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methylisoquinoline-1-carboxamide is CC(CO)N(C)C(=O)c1nccc2ccccc12.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methylisoquinoline-1-carboxamide?
The InChIKey is OZKVVVQATLGVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(9-17)16(2)14(18)13-12-6-4-3-5-11(12)7-8-15-13/h3-8,10,17H,9H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methylisoquinoline-1-carboxamide?
N-(1-hydroxypropan-2-yl)-N-methylisoquinoline-1-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methylisoquinoline-1-carboxamide is sourced from PubChem (CID 113337599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).