1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea

C14H19N3O2 — CID 110775002

IUPAC1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H19N3O2/c1-2-7-15-14(19)16-9-10-3-5-12-11(8-10)4-6-13(18)17-12/h3,5,8H,2,4,6-7,9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyJSEXRQFICSBKSV-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.78
Rot. Bonds4

About 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea

1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea (PubChem CID 110775002) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea
PubChem CID110775002
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H19N3O2/c1-2-7-15-14(19)16-9-10-3-5-12-11(8-10)4-6-13(18)17-12/h3,5,8H,2,4,6-7,9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyJSEXRQFICSBKSV-UHFFFAOYSA-N
XLogP1.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110775001
2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 82496063
N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide
CID 115191821
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea
CID 110774998
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea
CID 110774865
4-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781545
1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110774999
3-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781541
2-oxo-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115175903
N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768429
6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82285548
N-[(3-fluoro-4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 31714300

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea?
The IUPAC name of 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea (CID 110775002) is 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea?
The canonical SMILES for 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea is CCCNC(=O)NCc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea?
The InChIKey is JSEXRQFICSBKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-7-15-14(19)16-9-10-3-5-12-11(8-10)4-6-13(18)17-12/h3,5,8H,2,4,6-7,9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea?
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea has a molecular weight of 261.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea is sourced from PubChem (CID 110775002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).