N-[2-(cyclohexen-1-yl)ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide

C21H22N2O2 — CID 20868521

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide
SMILESCc1nc2ccccc2c2oc(C(=O)NCCC3=CCCCC3)cc12
InChIInChI=1S/C21H22N2O2/c1-14-17-13-19(21(24)22-12-11-15-7-3-2-4-8-15)25-20(17)16-9-5-6-10-18(16)23-14/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,22,24)
InChIKeyBORWKFPJACYEMP-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.91
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide (PubChem CID 20868521) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide
PubChem CID20868521
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide
SMILESCc1nc2ccccc2c2oc(C(=O)NCCC3=CCCCC3)cc12
InChIInChI=1S/C21H22N2O2/c1-14-17-13-19(21(24)22-12-11-15-7-3-2-4-8-15)25-20(17)16-9-5-6-10-18(16)23-14/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,22,24)
InChIKeyBORWKFPJACYEMP-UHFFFAOYSA-N
XLogP4.91
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2-morpholin-4-ylethyl)furo[3,2-c]quinoline-2-carboxamide
CID 20868544
4-methyl-N-(pyridin-2-ylmethyl)furo[3,2-c]quinoline-2-carboxamide
CID 3237079
4-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]furo[3,2-c]quinoline-2-carboxamide
CID 5307409
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide
CID 18588781
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
CID 29413921
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
CID 995074
N-[3-(2-ethylpiperidin-1-yl)propyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide
CID 20868563
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide
CID 103842397
3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 42341971
4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide
CID 103843001
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]quinoline-4-carboxamide
CID 4182268
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110387902

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide (CID 20868521) is N-[2-(cyclohexen-1-yl)ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide is Cc1nc2ccccc2c2oc(C(=O)NCCC3=CCCCC3)cc12.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide?
The InChIKey is BORWKFPJACYEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14-17-13-19(21(24)22-12-11-15-7-3-2-4-8-15)25-20(17)16-9-5-6-10-18(16)23-14/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,22,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20868521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).