N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

C22H23N3O — CID 110435252

IUPACN-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESc1ccc2c(Nc3ccc(N4CCOCC4)cc3)c3c(nc2c1)CCC3
InChIInChI=1S/C22H23N3O/c1-2-6-20-18(4-1)22(19-5-3-7-21(19)24-20)23-16-8-10-17(11-9-16)25-12-14-26-15-13-25/h1-2,4,6,8-11H,3,5,7,12-15H2,(H,23,24)
InChIKeyJYDNGYJMAISJLP-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.30
Rot. Bonds3

About N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 110435252) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID110435252
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESc1ccc2c(Nc3ccc(N4CCOCC4)cc3)c3c(nc2c1)CCC3
InChIInChI=1S/C22H23N3O/c1-2-6-20-18(4-1)22(19-5-3-7-21(19)24-20)23-16-8-10-17(11-9-16)25-12-14-26-15-13-25/h1-2,4,6,8-11H,3,5,7,12-15H2,(H,23,24)
InChIKeyJYDNGYJMAISJLP-UHFFFAOYSA-N
XLogP4.30
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 110435252) is N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is c1ccc2c(Nc3ccc(N4CCOCC4)cc3)c3c(nc2c1)CCC3.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is JYDNGYJMAISJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-6-20-18(4-1)22(19-5-3-7-21(19)24-20)23-16-8-10-17(11-9-16)25-12-14-26-15-13-25/h1-2,4,6,8-11H,3,5,7,12-15H2,(H,23,24).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 345.45 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 110435252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).