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

C14H17ClN4O2 — CID 6490417

IUPAC1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)Nc1c[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C14H17ClN4O2/c1-19(2)6-5-16-14(21)18-12-8-17-11-7-9(15)3-4-10(11)13(12)20/h3-4,7-8H,5-6H2,1-2H3,(H,17,20)(H2,16,18,21)
InChIKeyBNWKOYWVMBDOGH-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.86
Rot. Bonds4

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

1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-[2-(dimethylamino)ethyl]urea (PubChem CID 6490417) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-[2-(dimethylamino)ethyl]urea.

Molecular Properties

Compound Name1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-[2-(dimethylamino)ethyl]urea
PubChem CID6490417
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)Nc1c[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C14H17ClN4O2/c1-19(2)6-5-16-14(21)18-12-8-17-11-7-9(15)3-4-10(11)13(12)20/h3-4,7-8H,5-6H2,1-2H3,(H,17,20)(H2,16,18,21)
InChIKeyBNWKOYWVMBDOGH-UHFFFAOYSA-N
XLogP1.86
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-prop-2-ynylurea
CID 6490413
1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-prop-2-enylurea
CID 6490407
2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 113210456
2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84700341
1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea
CID 978037
1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea
CID 75519151
N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108501046
7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
CID 54380984
1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871524
6-N-(5-chloro-2-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096365
6-N-(2,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096411
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 108988234

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-[2-(dimethylamino)ethyl]urea?
The IUPAC name of 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-[2-(dimethylamino)ethyl]urea (CID 6490417) is 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-[2-(dimethylamino)ethyl]urea.
What is the SMILES notation for 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-[2-(dimethylamino)ethyl]urea?
The canonical SMILES for 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-[2-(dimethylamino)ethyl]urea is CN(C)CCNC(=O)Nc1c[nH]c2cc(Cl)ccc2c1=O.
What is the InChIKey of 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-[2-(dimethylamino)ethyl]urea?
The InChIKey is BNWKOYWVMBDOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-19(2)6-5-16-14(21)18-12-8-17-11-7-9(15)3-4-10(11)13(12)20/h3-4,7-8H,5-6H2,1-2H3,(H,17,20)(H2,16,18,21).
What are the key properties of 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-[2-(dimethylamino)ethyl]urea?
1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-[2-(dimethylamino)ethyl]urea has a molecular weight of 308.77 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-[2-(dimethylamino)ethyl]urea is sourced from PubChem (CID 6490417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).