2-[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]cyclohexyl]quinoline-4-carboxamide

C27H33N3O3 — CID 98126365

IUPAC2-[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]cyclohexyl]quinoline-4-carboxamide
SMILESCOCCOc1cccc(CNCC2CCC(c3cc(C(N)=O)c4ccccc4n3)CC2)c1
InChIInChI=1S/C27H33N3O3/c1-32-13-14-33-22-6-4-5-20(15-22)18-29-17-19-9-11-21(12-10-19)26-16-24(27(28)31)23-7-2-3-8-25(23)30-26/h2-8,15-16,19,21,29H,9-14,17-18H2,1H3,(H2,28,31)
InChIKeyGFALESGGTMRRHE-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.42
Rot. Bonds10

About 2-[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]cyclohexyl]quinoline-4-carboxamide

2-[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]cyclohexyl]quinoline-4-carboxamide (PubChem CID 98126365) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]cyclohexyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]cyclohexyl]quinoline-4-carboxamide
PubChem CID98126365
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name2-[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]cyclohexyl]quinoline-4-carboxamide
SMILESCOCCOc1cccc(CNCC2CCC(c3cc(C(N)=O)c4ccccc4n3)CC2)c1
InChIInChI=1S/C27H33N3O3/c1-32-13-14-33-22-6-4-5-20(15-22)18-29-17-19-9-11-21(12-10-19)26-16-24(27(28)31)23-7-2-3-8-25(23)30-26/h2-8,15-16,19,21,29H,9-14,17-18H2,1H3,(H2,28,31)
InChIKeyGFALESGGTMRRHE-UHFFFAOYSA-N
XLogP4.42
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 9377696
4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide
CID 66763206
2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 9483435
[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate
CID 40763723
2-cyclopropyl-N-[(2-methoxy-3-pyridinyl)methyl]quinoline-4-carboxamide
CID 37485659
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636929
4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 59230604
(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645943
2-cyclopropyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]acetamide
CID 173167337
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]cyclohexyl]quinoline-4-carboxamide?
The IUPAC name of 2-[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]cyclohexyl]quinoline-4-carboxamide (CID 98126365) is 2-[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]cyclohexyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]cyclohexyl]quinoline-4-carboxamide?
The canonical SMILES for 2-[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]cyclohexyl]quinoline-4-carboxamide is COCCOc1cccc(CNCC2CCC(c3cc(C(N)=O)c4ccccc4n3)CC2)c1.
What is the InChIKey of 2-[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]cyclohexyl]quinoline-4-carboxamide?
The InChIKey is GFALESGGTMRRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-32-13-14-33-22-6-4-5-20(15-22)18-29-17-19-9-11-21(12-10-19)26-16-24(27(28)31)23-7-2-3-8-25(23)30-26/h2-8,15-16,19,21,29H,9-14,17-18H2,1H3,(H2,28,31).
What are the key properties of 2-[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]cyclohexyl]quinoline-4-carboxamide?
2-[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]cyclohexyl]quinoline-4-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 4.42, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]cyclohexyl]quinoline-4-carboxamide is sourced from PubChem (CID 98126365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).