2-cyclopentyl-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C25H33N3O4 — CID 26333368

IUPAC2-cyclopentyl-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCN(C)c1nc2cc3c(cc2cc1CN(C[C@@H]1CCCO1)C(=O)CC1CCCC1)OCO3
InChIInChI=1S/C25H33N3O4/c1-27(2)25-19(11-18-12-22-23(32-16-31-22)13-21(18)26-25)14-28(15-20-8-5-9-30-20)24(29)10-17-6-3-4-7-17/h11-13,17,20H,3-10,14-16H2,1-2H3/t20-/m0/s1
InChIKeyCYACUVLHPKPLEU-FQEVSTJZSA-N
MW439.56 g/mol
LogP4.12
Rot. Bonds7

About 2-cyclopentyl-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-cyclopentyl-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 26333368) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID26333368
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name2-cyclopentyl-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCN(C)c1nc2cc3c(cc2cc1CN(C[C@@H]1CCCO1)C(=O)CC1CCCC1)OCO3
InChIInChI=1S/C25H33N3O4/c1-27(2)25-19(11-18-12-22-23(32-16-31-22)13-21(18)26-25)14-28(15-20-8-5-9-30-20)24(29)10-17-6-3-4-7-17/h11-13,17,20H,3-10,14-16H2,1-2H3/t20-/m0/s1
InChIKeyCYACUVLHPKPLEU-FQEVSTJZSA-N
XLogP4.12
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 26342772
N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 56854668
N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-(oxolan-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide
CID 56853594
N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 45167203
(2S)-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide
CID 26359031
2-cyclopentyl-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42169642
N-[[6-methyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]quinolin-3-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42431465
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 26397869
N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 45226958
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419
3-methyl-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 1146164
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26352971

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 26333368) is 2-cyclopentyl-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is CN(C)c1nc2cc3c(cc2cc1CN(C[C@@H]1CCCO1)C(=O)CC1CCCC1)OCO3.
What is the InChIKey of 2-cyclopentyl-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is CYACUVLHPKPLEU-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-27(2)25-19(11-18-12-22-23(32-16-31-22)13-21(18)26-25)14-28(15-20-8-5-9-30-20)24(29)10-17-6-3-4-7-17/h11-13,17,20H,3-10,14-16H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-cyclopentyl-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-cyclopentyl-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 439.56 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 26333368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).