[7-(5-chloro-2-methylphenyl)isoquinolin-3-yl]carbamic acid;cyclopropane

C20H19ClN2O2 — CID 129159009

IUPAC[7-(5-chloro-2-methylphenyl)isoquinolin-3-yl]carbamic acid;cyclopropane
SMILESC1CC1.Cc1ccc(Cl)cc1-c1ccc2cc(NC(=O)O)ncc2c1
InChIInChI=1S/C17H13ClN2O2.C3H6/c1-10-2-5-14(18)8-15(10)12-4-3-11-7-16(20-17(21)22)19-9-13(11)6-12;1-2-3-1/h2-9H,1H3,(H,19,20)(H,21,22);1-3H2
InChIKeyAKUIRFRSEIRIOI-UHFFFAOYSA-N
MW354.84 g/mol
LogP6.12
Rot. Bonds2

About [7-(5-chloro-2-methylphenyl)isoquinolin-3-yl]carbamic acid;cyclopropane

[7-(5-chloro-2-methylphenyl)isoquinolin-3-yl]carbamic acid;cyclopropane (PubChem CID 129159009) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is [7-(5-chloro-2-methylphenyl)isoquinolin-3-yl]carbamic acid;cyclopropane.

Molecular Properties

Compound Name[7-(5-chloro-2-methylphenyl)isoquinolin-3-yl]carbamic acid;cyclopropane
PubChem CID129159009
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name[7-(5-chloro-2-methylphenyl)isoquinolin-3-yl]carbamic acid;cyclopropane
SMILESC1CC1.Cc1ccc(Cl)cc1-c1ccc2cc(NC(=O)O)ncc2c1
InChIInChI=1S/C17H13ClN2O2.C3H6/c1-10-2-5-14(18)8-15(10)12-4-3-11-7-16(20-17(21)22)19-9-13(11)6-12;1-2-3-1/h2-9H,1H3,(H,19,20)(H,21,22);1-3H2
InChIKeyAKUIRFRSEIRIOI-UHFFFAOYSA-N
XLogP6.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [7-(5-chloro-2-methylphenyl)isoquinolin-3-yl]carbamic acid;cyclopropane 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

N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]cyclobutanecarboxamide
CID 57411211
N-[7-(2-methyl-5-nitrosophenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587707
N-[7-(5-chloro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide;7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine
CID 129159059
(1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 71134963
N-[7-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115120
(2R)-N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]oxolane-2-carboxamide
CID 57411209
N-(1-cyclopropylethenyl)-7-(2,5-dimethylphenyl)isoquinolin-3-amine
CID 129169928
N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974850
N-[1-(1-fluorocyclopropyl)ethenyl]-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine
CID 129170148
2-methyl-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 123303699
(1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 71115800
[7-(2H-benzotriazol-4-yl)isoquinolin-3-yl]carbamic acid
CID 129159008

Frequently Asked Questions

What is the IUPAC name of [7-(5-chloro-2-methylphenyl)isoquinolin-3-yl]carbamic acid;cyclopropane?
The IUPAC name of [7-(5-chloro-2-methylphenyl)isoquinolin-3-yl]carbamic acid;cyclopropane (CID 129159009) is [7-(5-chloro-2-methylphenyl)isoquinolin-3-yl]carbamic acid;cyclopropane.
What is the SMILES notation for [7-(5-chloro-2-methylphenyl)isoquinolin-3-yl]carbamic acid;cyclopropane?
The canonical SMILES for [7-(5-chloro-2-methylphenyl)isoquinolin-3-yl]carbamic acid;cyclopropane is C1CC1.Cc1ccc(Cl)cc1-c1ccc2cc(NC(=O)O)ncc2c1.
What is the InChIKey of [7-(5-chloro-2-methylphenyl)isoquinolin-3-yl]carbamic acid;cyclopropane?
The InChIKey is AKUIRFRSEIRIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2.C3H6/c1-10-2-5-14(18)8-15(10)12-4-3-11-7-16(20-17(21)22)19-9-13(11)6-12;1-2-3-1/h2-9H,1H3,(H,19,20)(H,21,22);1-3H2.
What are the key properties of [7-(5-chloro-2-methylphenyl)isoquinolin-3-yl]carbamic acid;cyclopropane?
[7-(5-chloro-2-methylphenyl)isoquinolin-3-yl]carbamic acid;cyclopropane has a molecular weight of 354.84 g/mol, XLogP of 6.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(5-chloro-2-methylphenyl)isoquinolin-3-yl]carbamic acid;cyclopropane is sourced from PubChem (CID 129159009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).