(2S)-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide

C22H30N4O4 — CID 26359031

IUPAC(2S)-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide
SMILESCN(C)CCN(Cc1cc2cc3c(cc2nc1N(C)C)OCO3)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C22H30N4O4/c1-24(2)7-8-26(22(27)18-6-5-9-28-18)13-16-10-15-11-19-20(30-14-29-19)12-17(15)23-21(16)25(3)4/h10-12,18H,5-9,13-14H2,1-4H3/t18-/m0/s1
InChIKeyRGMUECJLJBISSL-SFHVURJKSA-N
MW414.51 g/mol
LogP2.10
Rot. Bonds7

About (2S)-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide

(2S)-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide (PubChem CID 26359031) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is (2S)-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide
PubChem CID26359031
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name(2S)-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide
SMILESCN(C)CCN(Cc1cc2cc3c(cc2nc1N(C)C)OCO3)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C22H30N4O4/c1-24(2)7-8-26(22(27)18-6-5-9-28-18)13-16-10-15-11-19-20(30-14-29-19)12-17(15)23-21(16)25(3)4/h10-12,18H,5-9,13-14H2,1-4H3/t18-/m0/s1
InChIKeyRGMUECJLJBISSL-SFHVURJKSA-N
XLogP2.10
TPSA67.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopentyl-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 26333368
N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 45167203
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]-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-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide
CID 42778185
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide
CID 51081068
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-(furan-2-ylmethyl)oxolane-2-carboxamide
CID 45253101
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methylphenyl)methyl]oxane-2-carboxamide
CID 99948837
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-[[2-(4-hydroxypiperidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]oxolane-2-carboxamide
CID 42466505
(2S)-N-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-N-(2-methoxyethyl)oxolane-2-carboxamide
CID 26327843
(2R)-N-(2-methoxyethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 2036915

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide (CID 26359031) is (2S)-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide is CN(C)CCN(Cc1cc2cc3c(cc2nc1N(C)C)OCO3)C(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide?
The InChIKey is RGMUECJLJBISSL-SFHVURJKSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-24(2)7-8-26(22(27)18-6-5-9-28-18)13-16-10-15-11-19-20(30-14-29-19)12-17(15)23-21(16)25(3)4/h10-12,18H,5-9,13-14H2,1-4H3/t18-/m0/s1.
What are the key properties of (2S)-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide?
(2S)-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 26359031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).