N-(4-butan-2-yloxyphenyl)isoquinoline-4-carboxamide

C20H20N2O2 — CID 166193605

IUPACN-(4-butan-2-yloxyphenyl)isoquinoline-4-carboxamide
SMILESCCC(C)Oc1ccc(NC(=O)c2cncc3ccccc23)cc1
InChIInChI=1S/C20H20N2O2/c1-3-14(2)24-17-10-8-16(9-11-17)22-20(23)19-13-21-12-15-6-4-5-7-18(15)19/h4-14H,3H2,1-2H3,(H,22,23)
InChIKeyDXSPNTTUOKUIFF-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.66
Rot. Bonds5

About N-(4-butan-2-yloxyphenyl)isoquinoline-4-carboxamide

N-(4-butan-2-yloxyphenyl)isoquinoline-4-carboxamide (PubChem CID 166193605) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(4-butan-2-yloxyphenyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-yloxyphenyl)isoquinoline-4-carboxamide
PubChem CID166193605
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-(4-butan-2-yloxyphenyl)isoquinoline-4-carboxamide
SMILESCCC(C)Oc1ccc(NC(=O)c2cncc3ccccc23)cc1
InChIInChI=1S/C20H20N2O2/c1-3-14(2)24-17-10-8-16(9-11-17)22-20(23)19-13-21-12-15-6-4-5-7-18(15)19/h4-14H,3H2,1-2H3,(H,22,23)
InChIKeyDXSPNTTUOKUIFF-UHFFFAOYSA-N
XLogP4.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-(4-butan-2-yloxyphenyl)benzamide
CID 54784852
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
N-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide
CID 17160527
N-[4-[(4-butan-2-yloxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide
CID 17251830
2-anilino-N-(4-butan-2-yloxyphenyl)acetamide
CID 54810187
(2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide
CID 119298172
3-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide
CID 105069782
4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide
CID 17141313
N-(4-butan-2-yloxyphenyl)-2-(2-methylphenyl)acetamide
CID 43877407
4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17141312
2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 119739512

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yloxyphenyl)isoquinoline-4-carboxamide?
The IUPAC name of N-(4-butan-2-yloxyphenyl)isoquinoline-4-carboxamide (CID 166193605) is N-(4-butan-2-yloxyphenyl)isoquinoline-4-carboxamide.
What is the SMILES notation for N-(4-butan-2-yloxyphenyl)isoquinoline-4-carboxamide?
The canonical SMILES for N-(4-butan-2-yloxyphenyl)isoquinoline-4-carboxamide is CCC(C)Oc1ccc(NC(=O)c2cncc3ccccc23)cc1.
What is the InChIKey of N-(4-butan-2-yloxyphenyl)isoquinoline-4-carboxamide?
The InChIKey is DXSPNTTUOKUIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-14(2)24-17-10-8-16(9-11-17)22-20(23)19-13-21-12-15-6-4-5-7-18(15)19/h4-14H,3H2,1-2H3,(H,22,23).
What are the key properties of N-(4-butan-2-yloxyphenyl)isoquinoline-4-carboxamide?
N-(4-butan-2-yloxyphenyl)isoquinoline-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yloxyphenyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 166193605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).