N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-methoxyquinoline-3-carboxamide

C20H26N2O3 — CID 129274871

IUPACN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCC(C(C)(C)O)CC3)cnc2c1
InChIInChI=1S/C20H26N2O3/c1-20(2,24)15-5-7-16(8-6-15)22-19(23)14-10-13-4-9-17(25-3)11-18(13)21-12-14/h4,9-12,15-16,24H,5-8H2,1-3H3,(H,22,23)
InChIKeyXFKLCWVAIINPDB-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.30
Rot. Bonds4

About N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-methoxyquinoline-3-carboxamide

N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-methoxyquinoline-3-carboxamide (PubChem CID 129274871) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-methoxyquinoline-3-carboxamide
PubChem CID129274871
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCC(C(C)(C)O)CC3)cnc2c1
InChIInChI=1S/C20H26N2O3/c1-20(2,24)15-5-7-16(8-6-15)22-19(23)14-10-13-4-9-17(25-3)11-18(13)21-12-14/h4,9-12,15-16,24H,5-8H2,1-3H3,(H,22,23)
InChIKeyXFKLCWVAIINPDB-UHFFFAOYSA-N
XLogP3.30
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-methoxyquinoline-3-carboxamide?
The IUPAC name of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-methoxyquinoline-3-carboxamide (CID 129274871) is N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-methoxyquinoline-3-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-methoxyquinoline-3-carboxamide?
The canonical SMILES for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-methoxyquinoline-3-carboxamide is COc1ccc2cc(C(=O)NC3CCC(C(C)(C)O)CC3)cnc2c1.
What is the InChIKey of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-methoxyquinoline-3-carboxamide?
The InChIKey is XFKLCWVAIINPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-20(2,24)15-5-7-16(8-6-15)22-19(23)14-10-13-4-9-17(25-3)11-18(13)21-12-14/h4,9-12,15-16,24H,5-8H2,1-3H3,(H,22,23).
What are the key properties of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-methoxyquinoline-3-carboxamide?
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-methoxyquinoline-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 129274871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).