(1-methylpiperidin-4-yl) N-[4-[(6,7-dimethoxy-3,4-dihydroquinolin-3-yl)methoxy]phenyl]carbamate

C25H31N3O5 — CID 142073534

IUPAC(1-methylpiperidin-4-yl) N-[4-[(6,7-dimethoxy-3,4-dihydroquinolin-3-yl)methoxy]phenyl]carbamate
SMILESCOc1cc2c(cc1OC)N=CC(COc1ccc(NC(=O)OC3CCN(C)CC3)cc1)C2
InChIInChI=1S/C25H31N3O5/c1-28-10-8-21(9-11-28)33-25(29)27-19-4-6-20(7-5-19)32-16-17-12-18-13-23(30-2)24(31-3)14-22(18)26-15-17/h4-7,13-15,17,21H,8-12,16H2,1-3H3,(H,27,29)
InChIKeyHMMMVDASXKSBID-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.30
Rot. Bonds7

About (1-methylpiperidin-4-yl) N-[4-[(6,7-dimethoxy-3,4-dihydroquinolin-3-yl)methoxy]phenyl]carbamate

(1-methylpiperidin-4-yl) N-[4-[(6,7-dimethoxy-3,4-dihydroquinolin-3-yl)methoxy]phenyl]carbamate (PubChem CID 142073534) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) N-[4-[(6,7-dimethoxy-3,4-dihydroquinolin-3-yl)methoxy]phenyl]carbamate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) N-[4-[(6,7-dimethoxy-3,4-dihydroquinolin-3-yl)methoxy]phenyl]carbamate
PubChem CID142073534
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC Name(1-methylpiperidin-4-yl) N-[4-[(6,7-dimethoxy-3,4-dihydroquinolin-3-yl)methoxy]phenyl]carbamate
SMILESCOc1cc2c(cc1OC)N=CC(COc1ccc(NC(=O)OC3CCN(C)CC3)cc1)C2
InChIInChI=1S/C25H31N3O5/c1-28-10-8-21(9-11-28)33-25(29)27-19-4-6-20(7-5-19)32-16-17-12-18-13-23(30-2)24(31-3)14-22(18)26-15-17/h4-7,13-15,17,21H,8-12,16H2,1-3H3,(H,27,29)
InChIKeyHMMMVDASXKSBID-UHFFFAOYSA-N
XLogP4.30
TPSA81.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7,8-diethoxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 9858430
(1,4,7,10,13,16)Hexaoxacyclooctadecino(2,3-g:12,11-g')diquinoline-2,15(1H,14H)-dione, 7,8,10,11,20,21,23,24-octahydro-4,17-dimethyl-
CID 60067
(1,4,7,10,13,16)Hexaoxacyclooctadecino(2,3-g:11,12-g')diquinoline-2,16(1H,17H)-dione, 7,8,10,11,20,21,23,24-octahydro-4,14-dimethyl-
CID 60068
tert-butyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-hydroxy-3-(1,2,3,4-tetrahydroquinolin-6-yloxy)propyl]carbamate
CID 44589140
5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)pentyl N-(4-methoxyphenyl)carbamate
CID 71660229
ethyl 6,7-dimethoxy-2-methyl-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 58656876
ethyl 4-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 60117145
ethyl 4-[[(2,4-difluorophenyl)methyl-methoxycarbonylamino]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 69599938
ethyl (2S,4S)-4-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 90853038
4-(2-Fluoro-4-isothiocyanatophenoxy)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinolone
CID 131744192
1-N-[4-[(6,7-dimethoxy-3-methyl-3,4-dihydroquinolin-4-yl)oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 135256586
[4-[4-[[1-[(4-Fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-7-methoxy-3-methyl-3,4-dihydroquinolin-6-yl] 4-methylpiperazine-1-carboxylate
CID 142610308

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) N-[4-[(6,7-dimethoxy-3,4-dihydroquinolin-3-yl)methoxy]phenyl]carbamate?
The IUPAC name of (1-methylpiperidin-4-yl) N-[4-[(6,7-dimethoxy-3,4-dihydroquinolin-3-yl)methoxy]phenyl]carbamate (CID 142073534) is (1-methylpiperidin-4-yl) N-[4-[(6,7-dimethoxy-3,4-dihydroquinolin-3-yl)methoxy]phenyl]carbamate.
What is the SMILES notation for (1-methylpiperidin-4-yl) N-[4-[(6,7-dimethoxy-3,4-dihydroquinolin-3-yl)methoxy]phenyl]carbamate?
The canonical SMILES for (1-methylpiperidin-4-yl) N-[4-[(6,7-dimethoxy-3,4-dihydroquinolin-3-yl)methoxy]phenyl]carbamate is COc1cc2c(cc1OC)N=CC(COc1ccc(NC(=O)OC3CCN(C)CC3)cc1)C2.
What is the InChIKey of (1-methylpiperidin-4-yl) N-[4-[(6,7-dimethoxy-3,4-dihydroquinolin-3-yl)methoxy]phenyl]carbamate?
The InChIKey is HMMMVDASXKSBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-28-10-8-21(9-11-28)33-25(29)27-19-4-6-20(7-5-19)32-16-17-12-18-13-23(30-2)24(31-3)14-22(18)26-15-17/h4-7,13-15,17,21H,8-12,16H2,1-3H3,(H,27,29).
What are the key properties of (1-methylpiperidin-4-yl) N-[4-[(6,7-dimethoxy-3,4-dihydroquinolin-3-yl)methoxy]phenyl]carbamate?
(1-methylpiperidin-4-yl) N-[4-[(6,7-dimethoxy-3,4-dihydroquinolin-3-yl)methoxy]phenyl]carbamate has a molecular weight of 453.54 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) N-[4-[(6,7-dimethoxy-3,4-dihydroquinolin-3-yl)methoxy]phenyl]carbamate is sourced from PubChem (CID 142073534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).