1-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]-3-propan-2-ylurea

C14H23N3O2 — CID 110196521

IUPAC1-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC12CCCC=C1NC(=O)CC2
InChIInChI=1S/C14H23N3O2/c1-10(2)16-13(19)15-9-14-7-4-3-5-11(14)17-12(18)6-8-14/h5,10H,3-4,6-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyYFFPMHCPEVYVBM-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.66
Rot. Bonds3

About 1-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]-3-propan-2-ylurea

1-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]-3-propan-2-ylurea (PubChem CID 110196521) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]-3-propan-2-ylurea
PubChem CID110196521
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC12CCCC=C1NC(=O)CC2
InChIInChI=1S/C14H23N3O2/c1-10(2)16-13(19)15-9-14-7-4-3-5-11(14)17-12(18)6-8-14/h5,10H,3-4,6-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyYFFPMHCPEVYVBM-UHFFFAOYSA-N
XLogP1.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]-3-propan-2-ylurea (CID 110196521) is 1-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]-3-propan-2-ylurea is CC(C)NC(=O)NCC12CCCC=C1NC(=O)CC2.
What is the InChIKey of 1-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]-3-propan-2-ylurea?
The InChIKey is YFFPMHCPEVYVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)16-13(19)15-9-14-7-4-3-5-11(14)17-12(18)6-8-14/h5,10H,3-4,6-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]-3-propan-2-ylurea?
1-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]-3-propan-2-ylurea has a molecular weight of 265.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 110196521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).