1-[3-(dimethylamino)propyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea

C23H28N4O3 — CID 644672

IUPAC1-[3-(dimethylamino)propyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
SMILESCOc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C23H28N4O3/c1-26(2)12-7-13-27(23(29)24-19-8-5-4-6-9-19)16-18-14-17-15-20(30-3)10-11-21(17)25-22(18)28/h4-6,8-11,14-15H,7,12-13,16H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyLOIMLXAZXSZWCV-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.52
Rot. Bonds8

About 1-[3-(dimethylamino)propyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea

1-[3-(dimethylamino)propyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea (PubChem CID 644672) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
PubChem CID644672
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-[3-(dimethylamino)propyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
SMILESCOc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C23H28N4O3/c1-26(2)12-7-13-27(23(29)24-19-8-5-4-6-9-19)16-18-14-17-15-20(30-3)10-11-21(17)25-22(18)28/h4-6,8-11,14-15H,7,12-13,16H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyLOIMLXAZXSZWCV-UHFFFAOYSA-N
XLogP3.52
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(dimethylamino)propyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea with MolForge

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Related Compounds

Cilostamide
CID 2753
K-134
CID 9908900
[4-[(4-Methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate
CID 70692553
N-[3-(3-methoxyphenyl)-1-methyl-4-oxo-1,4-dihydroquinolin-2-yl]butanamide
CID 4906475
2,2-diethyl-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 703596
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 862743
4-(((4-Methoxyphenyl)amino)methyl)quinolin-2-ol
CID 1850508
N-[3-(4-benzylpiperidin-1-yl)propyl]-N'-(4-methoxyphenyl)urea
CID 16193711
3-[(2,4-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 941920
6-methoxy-2,2,4-trimethyl-N-phenyl-3,4-dihydroquinoline-1(2H)-carboxamide
CID 3127094
2(1H)-Quinolinone, 1-ethyl-6-methoxy-
CID 114297
3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxo-
CID 54676680

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea (CID 644672) is 1-[3-(dimethylamino)propyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea is COc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=O)Nc3ccccc3)cc2c1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
The InChIKey is LOIMLXAZXSZWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-26(2)12-7-13-27(23(29)24-19-8-5-4-6-9-19)16-18-14-17-15-20(30-3)10-11-21(17)25-22(18)28/h4-6,8-11,14-15H,7,12-13,16H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of 1-[3-(dimethylamino)propyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
1-[3-(dimethylamino)propyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea has a molecular weight of 408.50 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea is sourced from PubChem (CID 644672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).