1-cyclopentyl-3-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea

C19H30N4O2 — CID 118744569

IUPAC1-cyclopentyl-3-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea
SMILESCN(C)CCn1c2c(ccc1=O)CC(NC(=O)NC1CCCC1)CC2
InChIInChI=1S/C19H30N4O2/c1-22(2)11-12-23-17-9-8-16(13-14(17)7-10-18(23)24)21-19(25)20-15-5-3-4-6-15/h7,10,15-16H,3-6,8-9,11-13H2,1-2H3,(H2,20,21,25)
InChIKeyUCIAXYISSLYVOJ-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.51
Rot. Bonds5

About 1-cyclopentyl-3-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea

1-cyclopentyl-3-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea (PubChem CID 118744569) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea
PubChem CID118744569
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-cyclopentyl-3-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea
SMILESCN(C)CCn1c2c(ccc1=O)CC(NC(=O)NC1CCCC1)CC2
InChIInChI=1S/C19H30N4O2/c1-22(2)11-12-23-17-9-8-16(13-14(17)7-10-18(23)24)21-19(25)20-15-5-3-4-6-15/h7,10,15-16H,3-6,8-9,11-13H2,1-2H3,(H2,20,21,25)
InChIKeyUCIAXYISSLYVOJ-UHFFFAOYSA-N
XLogP1.51
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-3-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea with MolForge

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Related Compounds

2-acetamido-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]acetamide
CID 118738999
1-cyclopentyl-3-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-6-yl)urea
CID 118739034
1-[2-(2-Oxopyrrolidin-1-yl)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 118742944
1-[2-(Dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 118745778
1-Cyclopentyl-3-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea;2,2,2-trifluoroacetic acid
CID 118744568
1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]-3-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)urea
CID 154747174
N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)pyrrolidine-1-carboxamide
CID 131663860
N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolidine-1-carboxamide
CID 134076214
N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-6-yl)pyrrolidine-1-carboxamide
CID 134078461
1-butyl-N-cyclopentyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 23587853
5-[[[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 59916701
8-(pentylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 70599518

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea (CID 118744569) is 1-cyclopentyl-3-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea is CN(C)CCn1c2c(ccc1=O)CC(NC(=O)NC1CCCC1)CC2.
What is the InChIKey of 1-cyclopentyl-3-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea?
The InChIKey is UCIAXYISSLYVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-22(2)11-12-23-17-9-8-16(13-14(17)7-10-18(23)24)21-19(25)20-15-5-3-4-6-15/h7,10,15-16H,3-6,8-9,11-13H2,1-2H3,(H2,20,21,25).
What are the key properties of 1-cyclopentyl-3-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea?
1-cyclopentyl-3-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea has a molecular weight of 346.48 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea is sourced from PubChem (CID 118744569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).