N-[[7-methoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]-N-(3-methoxypropyl)oxolane-2-carboxamide

C27H32N2O4 — CID 45240875

IUPACN-[[7-methoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]-N-(3-methoxypropyl)oxolane-2-carboxamide
SMILESCOCCCN(Cc1cc2ccc(OC)cc2nc1-c1ccccc1C)C(=O)C1CCCO1
InChIInChI=1S/C27H32N2O4/c1-19-8-4-5-9-23(19)26-21(16-20-11-12-22(32-3)17-24(20)28-26)18-29(13-7-14-31-2)27(30)25-10-6-15-33-25/h4-5,8-9,11-12,16-17,25H,6-7,10,13-15,18H2,1-3H3
InChIKeyPHYWCIORBBYOGA-UHFFFAOYSA-N
MW448.56 g/mol
LogP4.76
Rot. Bonds9

About N-[[7-methoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]-N-(3-methoxypropyl)oxolane-2-carboxamide

N-[[7-methoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]-N-(3-methoxypropyl)oxolane-2-carboxamide (PubChem CID 45240875) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[[7-methoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]-N-(3-methoxypropyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[7-methoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]-N-(3-methoxypropyl)oxolane-2-carboxamide
PubChem CID45240875
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC NameN-[[7-methoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]-N-(3-methoxypropyl)oxolane-2-carboxamide
SMILESCOCCCN(Cc1cc2ccc(OC)cc2nc1-c1ccccc1C)C(=O)C1CCCO1
InChIInChI=1S/C27H32N2O4/c1-19-8-4-5-9-23(19)26-21(16-20-11-12-22(32-3)17-24(20)28-26)18-29(13-7-14-31-2)27(30)25-10-6-15-33-25/h4-5,8-9,11-12,16-17,25H,6-7,10,13-15,18H2,1-3H3
InChIKeyPHYWCIORBBYOGA-UHFFFAOYSA-N
XLogP4.76
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-N-(2-methoxyethyl)oxolane-2-carboxamide
CID 26327843
N-(3-methoxypropyl)-2,5-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]pyrazole-3-carboxamide
CID 26355965
(2R)-N-(2-methoxyethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 2036915
N-(3-methoxypropyl)-5,6-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45210172
(2R)-N-(2-methoxyethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 2037041
2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42166967
5,6-dimethyl-N-[[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide
CID 56857788
4-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 45186810
3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 26398686
2-cyclopentyl-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42169642
3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26398689
N-(3-methoxypropyl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]cyclohexanecarboxamide
CID 42482769

Frequently Asked Questions

What is the IUPAC name of N-[[7-methoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]-N-(3-methoxypropyl)oxolane-2-carboxamide?
The IUPAC name of N-[[7-methoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]-N-(3-methoxypropyl)oxolane-2-carboxamide (CID 45240875) is N-[[7-methoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]-N-(3-methoxypropyl)oxolane-2-carboxamide.
What is the SMILES notation for N-[[7-methoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]-N-(3-methoxypropyl)oxolane-2-carboxamide?
The canonical SMILES for N-[[7-methoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]-N-(3-methoxypropyl)oxolane-2-carboxamide is COCCCN(Cc1cc2ccc(OC)cc2nc1-c1ccccc1C)C(=O)C1CCCO1.
What is the InChIKey of N-[[7-methoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]-N-(3-methoxypropyl)oxolane-2-carboxamide?
The InChIKey is PHYWCIORBBYOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-19-8-4-5-9-23(19)26-21(16-20-11-12-22(32-3)17-24(20)28-26)18-29(13-7-14-31-2)27(30)25-10-6-15-33-25/h4-5,8-9,11-12,16-17,25H,6-7,10,13-15,18H2,1-3H3.
What are the key properties of N-[[7-methoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]-N-(3-methoxypropyl)oxolane-2-carboxamide?
N-[[7-methoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]-N-(3-methoxypropyl)oxolane-2-carboxamide has a molecular weight of 448.56 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-methoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]-N-(3-methoxypropyl)oxolane-2-carboxamide is sourced from PubChem (CID 45240875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).