N-(2-methyl-4-propan-2-yloxyphenyl)isoquinoline-5-carboxamide

C20H20N2O2 — CID 166216945

IUPACN-(2-methyl-4-propan-2-yloxyphenyl)isoquinoline-5-carboxamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)c1cccc2cnccc12
InChIInChI=1S/C20H20N2O2/c1-13(2)24-16-7-8-19(14(3)11-16)22-20(23)18-6-4-5-15-12-21-10-9-17(15)18/h4-13H,1-3H3,(H,22,23)
InChIKeyIGVHHHILRMGHFF-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.58
Rot. Bonds4

About N-(2-methyl-4-propan-2-yloxyphenyl)isoquinoline-5-carboxamide

N-(2-methyl-4-propan-2-yloxyphenyl)isoquinoline-5-carboxamide (PubChem CID 166216945) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2-methyl-4-propan-2-yloxyphenyl)isoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-propan-2-yloxyphenyl)isoquinoline-5-carboxamide
PubChem CID166216945
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-(2-methyl-4-propan-2-yloxyphenyl)isoquinoline-5-carboxamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)c1cccc2cnccc12
InChIInChI=1S/C20H20N2O2/c1-13(2)24-16-7-8-19(14(3)11-16)22-20(23)18-6-4-5-15-12-21-10-9-17(15)18/h4-13H,1-3H3,(H,22,23)
InChIKeyIGVHHHILRMGHFF-UHFFFAOYSA-N
XLogP4.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-methyl-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103754715
N-isoquinolin-5-yl-2-methylbenzamide
CID 110483002
N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide
CID 110857655
N-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide
CID 2179862
2-amino-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxamide
CID 62792917
N-isoquinolin-5-yl-3,5-dimethoxybenzamide
CID 8763148
(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 92930680
3-chloro-N-(4-ethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 66465000
N-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide
CID 110860308
4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55887942
1-isoquinolin-5-yl-2-methylsulfonylpropan-1-one
CID 114970914
(4,5-dimethylthiophen-2-yl)-isoquinolin-5-ylmethanone
CID 114970959

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-propan-2-yloxyphenyl)isoquinoline-5-carboxamide?
The IUPAC name of N-(2-methyl-4-propan-2-yloxyphenyl)isoquinoline-5-carboxamide (CID 166216945) is N-(2-methyl-4-propan-2-yloxyphenyl)isoquinoline-5-carboxamide.
What is the SMILES notation for N-(2-methyl-4-propan-2-yloxyphenyl)isoquinoline-5-carboxamide?
The canonical SMILES for N-(2-methyl-4-propan-2-yloxyphenyl)isoquinoline-5-carboxamide is Cc1cc(OC(C)C)ccc1NC(=O)c1cccc2cnccc12.
What is the InChIKey of N-(2-methyl-4-propan-2-yloxyphenyl)isoquinoline-5-carboxamide?
The InChIKey is IGVHHHILRMGHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13(2)24-16-7-8-19(14(3)11-16)22-20(23)18-6-4-5-15-12-21-10-9-17(15)18/h4-13H,1-3H3,(H,22,23).
What are the key properties of N-(2-methyl-4-propan-2-yloxyphenyl)isoquinoline-5-carboxamide?
N-(2-methyl-4-propan-2-yloxyphenyl)isoquinoline-5-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-propan-2-yloxyphenyl)isoquinoline-5-carboxamide is sourced from PubChem (CID 166216945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).