N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-methylquinoline-4-carboxamide

C24H24N2O4 — CID 47874077

IUPACN-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)c2ccccc2n1
InChIInChI=1S/C24H24N2O4/c1-16-12-19(18-4-2-3-5-20(18)26-16)23(27)25-14-24(8-10-28-11-9-24)17-6-7-21-22(13-17)30-15-29-21/h2-7,12-13H,8-11,14-15H2,1H3,(H,25,27)
InChIKeyOKPZYLBTCYKJLE-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.75
Rot. Bonds4

About N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-methylquinoline-4-carboxamide

N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-methylquinoline-4-carboxamide (PubChem CID 47874077) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-methylquinoline-4-carboxamide
PubChem CID47874077
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)c2ccccc2n1
InChIInChI=1S/C24H24N2O4/c1-16-12-19(18-4-2-3-5-20(18)26-16)23(27)25-14-24(8-10-28-11-9-24)17-6-7-21-22(13-17)30-15-29-21/h2-7,12-13H,8-11,14-15H2,1H3,(H,25,27)
InChIKeyOKPZYLBTCYKJLE-UHFFFAOYSA-N
XLogP3.75
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]quinoline-2-carboxamide
CID 47873825
2-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]benzamide
CID 119944971
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3,5-dimethylbenzamide
CID 47873937
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-ethylbutanamide
CID 47873986
3-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]propanamide
CID 119303789
N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide
CID 115643532
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-6-chloropyridine-3-carboxamide
CID 60586843
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 60586891
4-(aminomethyl)-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]benzamide;hydrochloride
CID 119303800
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3,4-dichloro-1,2-thiazole-5-carboxamide
CID 154859829
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-4-carboxamide
CID 18076214
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-N',N'-diethylpentanediamide
CID 56522025

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-methylquinoline-4-carboxamide (CID 47874077) is N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)c2ccccc2n1.
What is the InChIKey of N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-methylquinoline-4-carboxamide?
The InChIKey is OKPZYLBTCYKJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-16-12-19(18-4-2-3-5-20(18)26-16)23(27)25-14-24(8-10-28-11-9-24)17-6-7-21-22(13-17)30-15-29-21/h2-7,12-13H,8-11,14-15H2,1H3,(H,25,27).
What are the key properties of N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-methylquinoline-4-carboxamide?
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-methylquinoline-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 47874077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).