2-quinolin-7-ylethyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate

C22H26N2O3 — CID 166262628

IUPAC2-quinolin-7-ylethyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
SMILESO=C(NC1CCC(C(=O)OCCc2ccc3cccnc3c2)CC1)C1CC1
InChIInChI=1S/C22H26N2O3/c25-21(17-5-6-17)24-19-9-7-18(8-10-19)22(26)27-13-11-15-3-4-16-2-1-12-23-20(16)14-15/h1-4,12,14,17-19H,5-11,13H2,(H,24,25)
InChIKeyIQYJCWTUJOTCLV-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.41
Rot. Bonds6

About 2-quinolin-7-ylethyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate

2-quinolin-7-ylethyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate (PubChem CID 166262628) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-quinolin-7-ylethyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-quinolin-7-ylethyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
PubChem CID166262628
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-quinolin-7-ylethyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
SMILESO=C(NC1CCC(C(=O)OCCc2ccc3cccnc3c2)CC1)C1CC1
InChIInChI=1S/C22H26N2O3/c25-21(17-5-6-17)24-19-9-7-18(8-10-19)22(26)27-13-11-15-3-4-16-2-1-12-23-20(16)14-15/h1-4,12,14,17-19H,5-11,13H2,(H,24,25)
InChIKeyIQYJCWTUJOTCLV-UHFFFAOYSA-N
XLogP3.41
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-quinolin-7-ylethyl cyclopropanecarboxylate
CID 155955554
N-(2-quinolin-7-ylethyl)cyclopropanamine
CID 81223999
3-quinolin-7-ylpropanamide
CID 82578510
N-(quinolin-7-ylmethyl)cyclopropanamine
CID 78921001
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide
CID 61042772
N-[4-(pyridin-2-ylamino)cyclohexyl]cyclopropanecarboxamide
CID 166194505
ethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 118754894
3-quinolin-7-ylpropan-1-amine
CID 55268089
2-quinolin-7-ylacetic acid
CID 18675903
4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
(3S,4S)-4-(3-quinolin-7-ylpropanoylamino)oxane-3-carboxylic acid
CID 166296002

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-7-ylethyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate?
The IUPAC name of 2-quinolin-7-ylethyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate (CID 166262628) is 2-quinolin-7-ylethyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for 2-quinolin-7-ylethyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate?
The canonical SMILES for 2-quinolin-7-ylethyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate is O=C(NC1CCC(C(=O)OCCc2ccc3cccnc3c2)CC1)C1CC1.
What is the InChIKey of 2-quinolin-7-ylethyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate?
The InChIKey is IQYJCWTUJOTCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-21(17-5-6-17)24-19-9-7-18(8-10-19)22(26)27-13-11-15-3-4-16-2-1-12-23-20(16)14-15/h1-4,12,14,17-19H,5-11,13H2,(H,24,25).
What are the key properties of 2-quinolin-7-ylethyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate?
2-quinolin-7-ylethyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-7-ylethyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 166262628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).