1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea

C20H28N4O3 — CID 97451974

IUPAC1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea
SMILESCc1cc(=O)[nH]c2cc(NC(=O)N(CCN(C)C)C[C@H]3CCCO3)ccc12
InChIInChI=1S/C20H28N4O3/c1-14-11-19(25)22-18-12-15(6-7-17(14)18)21-20(26)24(9-8-23(2)3)13-16-5-4-10-27-16/h6-7,11-12,16H,4-5,8-10,13H2,1-3H3,(H,21,26)(H,22,25)/t16-/m1/s1
InChIKeyZIWUDARPQGLRLK-MRXNPFEDSA-N
MW372.47 g/mol
LogP2.41
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea

1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 97451974) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID97451974
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea
SMILESCc1cc(=O)[nH]c2cc(NC(=O)N(CCN(C)C)C[C@H]3CCCO3)ccc12
InChIInChI=1S/C20H28N4O3/c1-14-11-19(25)22-18-12-15(6-7-17(14)18)21-20(26)24(9-8-23(2)3)13-16-5-4-10-27-16/h6-7,11-12,16H,4-5,8-10,13H2,1-3H3,(H,21,26)(H,22,25)/t16-/m1/s1
InChIKeyZIWUDARPQGLRLK-MRXNPFEDSA-N
XLogP2.41
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea with MolForge

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Related Compounds

3-(3-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 52507120
1-[2-(dimethylamino)ethyl]-3-(1-methylindazol-6-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97434018
1-[2-(dimethylamino)ethyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97445258
1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 1462490
3-(2-tert-butylpyrimidin-5-yl)-1-[2-(dimethylamino)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95353157
N-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 97127632
1-(cyclobutylmethyl)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(oxolan-2-ylmethyl)urea
CID 72937240
1-(2-cyanoethyl)-3-(3,5-dimethylphenyl)-1-(oxolan-2-ylmethyl)urea
CID 3305018
methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
CID 95314849
1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 1462806
3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209828
1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea
CID 52520502

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea (CID 97451974) is 1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea is Cc1cc(=O)[nH]c2cc(NC(=O)N(CCN(C)C)C[C@H]3CCCO3)ccc12.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is ZIWUDARPQGLRLK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14-11-19(25)22-18-12-15(6-7-17(14)18)21-20(26)24(9-8-23(2)3)13-16-5-4-10-27-16/h6-7,11-12,16H,4-5,8-10,13H2,1-3H3,(H,21,26)(H,22,25)/t16-/m1/s1.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea?
1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 372.47 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 97451974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).