(1-carbamoylcyclohexyl) 1,2-dihydroquinoline-3-carboxylate

C17H20N2O3 — CID 91127883

IUPAC(1-carbamoylcyclohexyl) 1,2-dihydroquinoline-3-carboxylate
SMILESNC(=O)C1(OC(=O)C2=Cc3ccccc3NC2)CCCCC1
InChIInChI=1S/C17H20N2O3/c18-16(21)17(8-4-1-5-9-17)22-15(20)13-10-12-6-2-3-7-14(12)19-11-13/h2-3,6-7,10,19H,1,4-5,8-9,11H2,(H2,18,21)
InChIKeyFUXLVUMVKSJZHQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.23
Rot. Bonds3

About (1-carbamoylcyclohexyl) 1,2-dihydroquinoline-3-carboxylate

(1-carbamoylcyclohexyl) 1,2-dihydroquinoline-3-carboxylate (PubChem CID 91127883) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (1-carbamoylcyclohexyl) 1,2-dihydroquinoline-3-carboxylate.

Molecular Properties

Compound Name(1-carbamoylcyclohexyl) 1,2-dihydroquinoline-3-carboxylate
PubChem CID91127883
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(1-carbamoylcyclohexyl) 1,2-dihydroquinoline-3-carboxylate
SMILESNC(=O)C1(OC(=O)C2=Cc3ccccc3NC2)CCCCC1
InChIInChI=1S/C17H20N2O3/c18-16(21)17(8-4-1-5-9-17)22-15(20)13-10-12-6-2-3-7-14(12)19-11-13/h2-3,6-7,10,19H,1,4-5,8-9,11H2,(H2,18,21)
InChIKeyFUXLVUMVKSJZHQ-UHFFFAOYSA-N
XLogP2.23
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-carbamoylcyclohexyl) 1,2-dihydroquinoline-3-carboxylate?
The IUPAC name of (1-carbamoylcyclohexyl) 1,2-dihydroquinoline-3-carboxylate (CID 91127883) is (1-carbamoylcyclohexyl) 1,2-dihydroquinoline-3-carboxylate.
What is the SMILES notation for (1-carbamoylcyclohexyl) 1,2-dihydroquinoline-3-carboxylate?
The canonical SMILES for (1-carbamoylcyclohexyl) 1,2-dihydroquinoline-3-carboxylate is NC(=O)C1(OC(=O)C2=Cc3ccccc3NC2)CCCCC1.
What is the InChIKey of (1-carbamoylcyclohexyl) 1,2-dihydroquinoline-3-carboxylate?
The InChIKey is FUXLVUMVKSJZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c18-16(21)17(8-4-1-5-9-17)22-15(20)13-10-12-6-2-3-7-14(12)19-11-13/h2-3,6-7,10,19H,1,4-5,8-9,11H2,(H2,18,21).
What are the key properties of (1-carbamoylcyclohexyl) 1,2-dihydroquinoline-3-carboxylate?
(1-carbamoylcyclohexyl) 1,2-dihydroquinoline-3-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoylcyclohexyl) 1,2-dihydroquinoline-3-carboxylate is sourced from PubChem (CID 91127883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).