8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine

C21H29N3O3 — CID 166560820

IUPAC8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
SMILESCOc1cc2nc3c(c(N[C@@H]4CCCN(C)C4)c2cc1OC)CCOCC3
InChIInChI=1S/C21H29N3O3/c1-24-8-4-5-14(13-24)22-21-15-6-9-27-10-7-17(15)23-18-12-20(26-3)19(25-2)11-16(18)21/h11-12,14H,4-10,13H2,1-3H3,(H,22,23)/t14-/m1/s1
InChIKeyATCQCXFTQVYKDS-CQSZACIVSA-N
MW371.48 g/mol
LogP2.87
Rot. Bonds4

About 8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine

8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine (PubChem CID 166560820) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine.

Molecular Properties

Compound Name8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
PubChem CID166560820
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
SMILESCOc1cc2nc3c(c(N[C@@H]4CCCN(C)C4)c2cc1OC)CCOCC3
InChIInChI=1S/C21H29N3O3/c1-24-8-4-5-14(13-24)22-21-15-6-9-27-10-7-17(15)23-18-12-20(26-3)19(25-2)11-16(18)21/h11-12,14H,4-10,13H2,1-3H3,(H,22,23)/t14-/m1/s1
InChIKeyATCQCXFTQVYKDS-CQSZACIVSA-N
XLogP2.87
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine with MolForge

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
CID 148717078
8,9-dimethoxy-N-piperidin-4-yl-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
CID 166560550
N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 166560553
N-cyclobutyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine
CID 175854650
2-[4-[(6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]piperidin-1-yl]ethanol
CID 147327134
6-chloro-7-methoxy-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroacridin-9-amine
CID 166560741
6-ethoxy-N-(1-ethylpiperidin-4-yl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 166560804
7,8-dimethoxy-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473119
2-methoxy-9-[(1-methylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroacridine-3-carbonitrile
CID 166560629
3-[4-[(2,3-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-yl)amino]piperidin-1-yl]propanenitrile
CID 166560557
2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-N-(oxan-4-yl)acridin-9-amine
CID 130345668
4-[[7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]amino]-1-methylpiperidin-2-one
CID 130345852

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine?
The IUPAC name of 8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine (CID 166560820) is 8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine.
What is the SMILES notation for 8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine?
The canonical SMILES for 8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine is COc1cc2nc3c(c(N[C@@H]4CCCN(C)C4)c2cc1OC)CCOCC3.
What is the InChIKey of 8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine?
The InChIKey is ATCQCXFTQVYKDS-CQSZACIVSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-24-8-4-5-14(13-24)22-21-15-6-9-27-10-7-17(15)23-18-12-20(26-3)19(25-2)11-16(18)21/h11-12,14H,4-10,13H2,1-3H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine?
8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine has a molecular weight of 371.48 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine is sourced from PubChem (CID 166560820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).