N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide

C19H22N2O3 — CID 53147635

IUPACN-[(5-methylfuran-2-yl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide
SMILESCc1ccc(CNC(=O)C2c3ccccc3CC(=O)N2C(C)C)o1
InChIInChI=1S/C19H22N2O3/c1-12(2)21-17(22)10-14-6-4-5-7-16(14)18(21)19(23)20-11-15-9-8-13(3)24-15/h4-9,12,18H,10-11H2,1-3H3,(H,20,23)
InChIKeyHUUWGNWRQSXYAY-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.74
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide

N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide (PubChem CID 53147635) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide
PubChem CID53147635
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide
SMILESCc1ccc(CNC(=O)C2c3ccccc3CC(=O)N2C(C)C)o1
InChIInChI=1S/C19H22N2O3/c1-12(2)21-17(22)10-14-6-4-5-7-16(14)18(21)19(23)20-11-15-9-8-13(3)24-15/h4-9,12,18H,10-11H2,1-3H3,(H,20,23)
InChIKeyHUUWGNWRQSXYAY-UHFFFAOYSA-N
XLogP2.74
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-N-[(2-methylphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide
CID 95096340
(1R)-3-oxo-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,4-dihydroisoquinoline-1-carboxamide
CID 95096376
(1R)-N-[(3-methylphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide
CID 95096301
N-[(3-chlorophenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide
CID 53147626
(1R)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide
CID 95096305
(2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97457260
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 70985799
(1S)-N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096417
(2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 95740179
(1S)-3-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-2-propyl-1,4-dihydroisoquinoline-1-carboxamide
CID 95096290
N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 53147665
2,3-dimethoxy-N-[(5-methylfuran-2-yl)methyl]-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
CID 15998768

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide (CID 53147635) is N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide is Cc1ccc(CNC(=O)C2c3ccccc3CC(=O)N2C(C)C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide?
The InChIKey is HUUWGNWRQSXYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12(2)21-17(22)10-14-6-4-5-7-16(14)18(21)19(23)20-11-15-9-8-13(3)24-15/h4-9,12,18H,10-11H2,1-3H3,(H,20,23).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide is sourced from PubChem (CID 53147635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).