methyl N-[3-[(2-methoxyethylamino)methyl]-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate

C24H26N4O3 — CID 139817000

IUPACmethyl N-[3-[(2-methoxyethylamino)methyl]-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
SMILESCOCCNCc1c(-c2ccccc2C)nc2c3cc(NC(=O)OC)ccc3ccn12
InChIInChI=1S/C24H26N4O3/c1-16-6-4-5-7-19(16)22-21(15-25-11-13-30-2)28-12-10-17-8-9-18(26-24(29)31-3)14-20(17)23(28)27-22/h4-10,12,14,25H,11,13,15H2,1-3H3,(H,26,29)
InChIKeyBSKDWFRCVHNAOS-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.38
Rot. Bonds7

About methyl N-[3-[(2-methoxyethylamino)methyl]-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate

methyl N-[3-[(2-methoxyethylamino)methyl]-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate (PubChem CID 139817000) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is methyl N-[3-[(2-methoxyethylamino)methyl]-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(2-methoxyethylamino)methyl]-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
PubChem CID139817000
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Namemethyl N-[3-[(2-methoxyethylamino)methyl]-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
SMILESCOCCNCc1c(-c2ccccc2C)nc2c3cc(NC(=O)OC)ccc3ccn12
InChIInChI=1S/C24H26N4O3/c1-16-6-4-5-7-19(16)22-21(15-25-11-13-30-2)28-12-10-17-8-9-18(26-24(29)31-3)14-20(17)23(28)27-22/h4-10,12,14,25H,11,13,15H2,1-3H3,(H,26,29)
InChIKeyBSKDWFRCVHNAOS-UHFFFAOYSA-N
XLogP4.38
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl N-[3-[(2-methoxyethylamino)methyl]-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate with MolForge

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Related Compounds

methyl N-[2-(2-methylphenyl)-3-(prop-2-enoxymethyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
CID 139817016
methyl N-[3-amino-2-[2-(methoxymethyl)phenyl]imidazo[2,1-a]isoquinolin-9-yl]carbamate
CID 139817142
methyl N-(3-acetyl-2-phenylimidazo[2,1-a]isoquinolin-9-yl)carbamate
CID 139817097
methyl N-[3-amino-2-(2,4-dichlorophenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
CID 139817061
9-methoxy-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-amine
CID 18691101
methyl 3-amino-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate
CID 18691240
2-(2-methylphenyl)-9-phenylimidazo[2,1-a]isoquinolin-3-amine
CID 18691274
2-(2-methoxyethylamino)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119711421
methyl N-benzo[h]quinolin-9-ylcarbamate
CID 102128931
2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide
CID 119764204
2-(2-methoxyethylamino)-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]acetamide
CID 119809308
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(2-methoxyethylamino)methyl]-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate?
The IUPAC name of methyl N-[3-[(2-methoxyethylamino)methyl]-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate (CID 139817000) is methyl N-[3-[(2-methoxyethylamino)methyl]-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate.
What is the SMILES notation for methyl N-[3-[(2-methoxyethylamino)methyl]-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate?
The canonical SMILES for methyl N-[3-[(2-methoxyethylamino)methyl]-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate is COCCNCc1c(-c2ccccc2C)nc2c3cc(NC(=O)OC)ccc3ccn12.
What is the InChIKey of methyl N-[3-[(2-methoxyethylamino)methyl]-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate?
The InChIKey is BSKDWFRCVHNAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16-6-4-5-7-19(16)22-21(15-25-11-13-30-2)28-12-10-17-8-9-18(26-24(29)31-3)14-20(17)23(28)27-22/h4-10,12,14,25H,11,13,15H2,1-3H3,(H,26,29).
What are the key properties of methyl N-[3-[(2-methoxyethylamino)methyl]-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate?
methyl N-[3-[(2-methoxyethylamino)methyl]-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate has a molecular weight of 418.50 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(2-methoxyethylamino)methyl]-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate is sourced from PubChem (CID 139817000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).