1-(3-hydroxybutyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea

C15H23N3O2 — CID 111336905

IUPAC1-(3-hydroxybutyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea
SMILESCC(O)CCNC(=O)Nc1ccc2c(c1)CCCN2C
InChIInChI=1S/C15H23N3O2/c1-11(19)7-8-16-15(20)17-13-5-6-14-12(10-13)4-3-9-18(14)2/h5-6,10-11,19H,3-4,7-9H2,1-2H3,(H2,16,17,20)
InChIKeyCMLPPQLFCOCQGU-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.96
Rot. Bonds4

About 1-(3-hydroxybutyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea

1-(3-hydroxybutyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea (PubChem CID 111336905) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea
PubChem CID111336905
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(3-hydroxybutyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea
SMILESCC(O)CCNC(=O)Nc1ccc2c(c1)CCCN2C
InChIInChI=1S/C15H23N3O2/c1-11(19)7-8-16-15(20)17-13-5-6-14-12(10-13)4-3-9-18(14)2/h5-6,10-11,19H,3-4,7-9H2,1-2H3,(H2,16,17,20)
InChIKeyCMLPPQLFCOCQGU-UHFFFAOYSA-N
XLogP1.96
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(5-hydroxy-4,4-dimethylpentyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea
CID 111474294
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid
CID 122078494
1-(3-methoxyphenyl)-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379224
(2R)-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 99587635
1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea
CID 111926171
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 71874830
1-(3-hydroxybutyl)-3-naphthalen-2-ylurea
CID 111336742
2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propanamide
CID 16837096
(2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide
CID 110837782
1-[(4-fluorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30373655
N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112523515
1-(3-bromophenyl)-3-(3-hydroxybutyl)urea
CID 111336733

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea?
The IUPAC name of 1-(3-hydroxybutyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea (CID 111336905) is 1-(3-hydroxybutyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea is CC(O)CCNC(=O)Nc1ccc2c(c1)CCCN2C.
What is the InChIKey of 1-(3-hydroxybutyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea?
The InChIKey is CMLPPQLFCOCQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(19)7-8-16-15(20)17-13-5-6-14-12(10-13)4-3-9-18(14)2/h5-6,10-11,19H,3-4,7-9H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-(3-hydroxybutyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea?
1-(3-hydroxybutyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea has a molecular weight of 277.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea is sourced from PubChem (CID 111336905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).