1-[9-(cyclopropylmethylamino)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]ethanol

C19H24N2O2 — CID 166560593

IUPAC1-[9-(cyclopropylmethylamino)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]ethanol
SMILESCOc1cc2c(NCC3CC3)c3c(nc2cc1C(C)O)CCC3
InChIInChI=1S/C19H24N2O2/c1-11(22)14-8-17-15(9-18(14)23-2)19(20-10-12-6-7-12)13-4-3-5-16(13)21-17/h8-9,11-12,22H,3-7,10H2,1-2H3,(H,20,21)
InChIKeyZQDHOEXZSBYVTK-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.61
Rot. Bonds5

About 1-[9-(cyclopropylmethylamino)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]ethanol

1-[9-(cyclopropylmethylamino)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]ethanol (PubChem CID 166560593) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[9-(cyclopropylmethylamino)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]ethanol.

Molecular Properties

Compound Name1-[9-(cyclopropylmethylamino)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]ethanol
PubChem CID166560593
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[9-(cyclopropylmethylamino)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]ethanol
SMILESCOc1cc2c(NCC3CC3)c3c(nc2cc1C(C)O)CCC3
InChIInChI=1S/C19H24N2O2/c1-11(22)14-8-17-15(9-18(14)23-2)19(20-10-12-6-7-12)13-4-3-5-16(13)21-17/h8-9,11-12,22H,3-7,10H2,1-2H3,(H,20,21)
InChIKeyZQDHOEXZSBYVTK-UHFFFAOYSA-N
XLogP3.61
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[9-(cyclopropylmethylamino)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]ethanol?
The IUPAC name of 1-[9-(cyclopropylmethylamino)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]ethanol (CID 166560593) is 1-[9-(cyclopropylmethylamino)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]ethanol.
What is the SMILES notation for 1-[9-(cyclopropylmethylamino)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]ethanol?
The canonical SMILES for 1-[9-(cyclopropylmethylamino)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]ethanol is COc1cc2c(NCC3CC3)c3c(nc2cc1C(C)O)CCC3.
What is the InChIKey of 1-[9-(cyclopropylmethylamino)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]ethanol?
The InChIKey is ZQDHOEXZSBYVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-11(22)14-8-17-15(9-18(14)23-2)19(20-10-12-6-7-12)13-4-3-5-16(13)21-17/h8-9,11-12,22H,3-7,10H2,1-2H3,(H,20,21).
What are the key properties of 1-[9-(cyclopropylmethylamino)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]ethanol?
1-[9-(cyclopropylmethylamino)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]ethanol has a molecular weight of 312.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(cyclopropylmethylamino)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]ethanol is sourced from PubChem (CID 166560593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).