N-(3-formyl-8-methylquinolin-7-yl)-4-(oxolan-3-ylmethoxy)benzamide

C23H22N2O4 — CID 87126681

IUPACN-(3-formyl-8-methylquinolin-7-yl)-4-(oxolan-3-ylmethoxy)benzamide
SMILESCc1c(NC(=O)c2ccc(OCC3CCOC3)cc2)ccc2cc(C=O)cnc12
InChIInChI=1S/C23H22N2O4/c1-15-21(7-4-19-10-17(12-26)11-24-22(15)19)25-23(27)18-2-5-20(6-3-18)29-14-16-8-9-28-13-16/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,25,27)
InChIKeyCEOYPPFWIDHUHM-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.02
Rot. Bonds6

About N-(3-formyl-8-methylquinolin-7-yl)-4-(oxolan-3-ylmethoxy)benzamide

N-(3-formyl-8-methylquinolin-7-yl)-4-(oxolan-3-ylmethoxy)benzamide (PubChem CID 87126681) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(3-formyl-8-methylquinolin-7-yl)-4-(oxolan-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-formyl-8-methylquinolin-7-yl)-4-(oxolan-3-ylmethoxy)benzamide
PubChem CID87126681
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-(3-formyl-8-methylquinolin-7-yl)-4-(oxolan-3-ylmethoxy)benzamide
SMILESCc1c(NC(=O)c2ccc(OCC3CCOC3)cc2)ccc2cc(C=O)cnc12
InChIInChI=1S/C23H22N2O4/c1-15-21(7-4-19-10-17(12-26)11-24-22(15)19)25-23(27)18-2-5-20(6-3-18)29-14-16-8-9-28-13-16/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,25,27)
InChIKeyCEOYPPFWIDHUHM-UHFFFAOYSA-N
XLogP4.02
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(cyclopropylmethylamino)methyl]-8-methylquinolin-7-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 58083272
N-[3-[(cyclopropylmethylamino)methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 58083298
4-(cyclopropylmethoxy)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18435902
N-[3-[(2,2-dimethylpropylamino)methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 58083319
4-(cyclopropylmethoxy)-N-[8-methyl-3-[(4-methylsulfonylbutylamino)methyl]quinolin-7-yl]benzamide
CID 58111639
N-[3-[[(2-methoxy-2-methylpropyl)amino]methyl]-8-methylquinolin-7-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 58083323
N-[8-methyl-3-[(2-methylpropylamino)methyl]quinolin-7-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 58083280
N-[8-methyl-3-[[(3-methyloxetan-3-yl)methylamino]methyl]quinolin-7-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 66726868
4-(cyclopropylmethoxy)-N-[3-[[3-(1,1-difluoroethylsulfonyl)propylamino]methyl]-8-methylquinolin-7-yl]benzamide
CID 58111701
4-(cyclopropylmethoxy)-N-[8-methyl-3-[1-(3-methylsulfonylpropylamino)ethyl]quinolin-7-yl]benzamide
CID 58111668
N-[3-[(butan-2-ylamino)methyl]-8-methylquinolin-7-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 58083283
4-(cyclopropylmethoxy)-N-(2-formyl-1,4-dimethylindol-5-yl)benzamide
CID 89147467

Frequently Asked Questions

What is the IUPAC name of N-(3-formyl-8-methylquinolin-7-yl)-4-(oxolan-3-ylmethoxy)benzamide?
The IUPAC name of N-(3-formyl-8-methylquinolin-7-yl)-4-(oxolan-3-ylmethoxy)benzamide (CID 87126681) is N-(3-formyl-8-methylquinolin-7-yl)-4-(oxolan-3-ylmethoxy)benzamide.
What is the SMILES notation for N-(3-formyl-8-methylquinolin-7-yl)-4-(oxolan-3-ylmethoxy)benzamide?
The canonical SMILES for N-(3-formyl-8-methylquinolin-7-yl)-4-(oxolan-3-ylmethoxy)benzamide is Cc1c(NC(=O)c2ccc(OCC3CCOC3)cc2)ccc2cc(C=O)cnc12.
What is the InChIKey of N-(3-formyl-8-methylquinolin-7-yl)-4-(oxolan-3-ylmethoxy)benzamide?
The InChIKey is CEOYPPFWIDHUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-21(7-4-19-10-17(12-26)11-24-22(15)19)25-23(27)18-2-5-20(6-3-18)29-14-16-8-9-28-13-16/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,25,27).
What are the key properties of N-(3-formyl-8-methylquinolin-7-yl)-4-(oxolan-3-ylmethoxy)benzamide?
N-(3-formyl-8-methylquinolin-7-yl)-4-(oxolan-3-ylmethoxy)benzamide has a molecular weight of 390.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formyl-8-methylquinolin-7-yl)-4-(oxolan-3-ylmethoxy)benzamide is sourced from PubChem (CID 87126681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).