N-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine

C23H31N3O3 — CID 148717078

IUPACN-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
SMILESCOc1cc2nc3c(c(NC4CCN(C5CC5)CC4)c2cc1OC)CCOCC3
InChIInChI=1S/C23H31N3O3/c1-27-21-13-18-20(14-22(21)28-2)25-19-8-12-29-11-7-17(19)23(18)24-15-5-9-26(10-6-15)16-3-4-16/h13-16H,3-12H2,1-2H3,(H,24,25)
InChIKeyNYIJINIEDGVQRU-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.41
Rot. Bonds5

About N-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine

N-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine (PubChem CID 148717078) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
PubChem CID148717078
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
SMILESCOc1cc2nc3c(c(NC4CCN(C5CC5)CC4)c2cc1OC)CCOCC3
InChIInChI=1S/C23H31N3O3/c1-27-21-13-18-20(14-22(21)28-2)25-19-8-12-29-11-7-17(19)23(18)24-15-5-9-26(10-6-15)16-3-4-16/h13-16H,3-12H2,1-2H3,(H,24,25)
InChIKeyNYIJINIEDGVQRU-UHFFFAOYSA-N
XLogP3.41
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine with MolForge

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Related Compounds

8,9-dimethoxy-N-piperidin-4-yl-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
CID 166560550
8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
CID 166560820
N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 166560553
2-[4-[(6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]piperidin-1-yl]ethanol
CID 147327134
6-ethoxy-N-(1-ethylpiperidin-4-yl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 166560804
2,3-dimethoxy-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine
CID 167287117
2,3-dimethoxy-N-[1-(oxolan-3-yl)piperidin-4-yl]-6,7,8,9-tetrahydrobenzo[b][1,5]naphthyridin-10-amine
CID 166560802
6-chloro-7-methoxy-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroacridin-9-amine
CID 166560741
3-[4-[(2,3-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-yl)amino]piperidin-1-yl]propanenitrile
CID 166560557
N-cyclobutyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine
CID 175854650
N-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 153164660
7,8-dimethoxy-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473119

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine (CID 148717078) is N-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine is COc1cc2nc3c(c(NC4CCN(C5CC5)CC4)c2cc1OC)CCOCC3.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine?
The InChIKey is NYIJINIEDGVQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-27-21-13-18-20(14-22(21)28-2)25-19-8-12-29-11-7-17(19)23(18)24-15-5-9-26(10-6-15)16-3-4-16/h13-16H,3-12H2,1-2H3,(H,24,25).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine?
N-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine has a molecular weight of 397.52 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine is sourced from PubChem (CID 148717078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).