1-(4-aminophenoxy)-7,8,9,10-tetrahydro-6aH-benzo[c][1,8]naphthyridin-6-one

C18H17N3O2 — CID 76831597

IUPAC1-(4-aminophenoxy)-7,8,9,10-tetrahydro-6aH-benzo[c][1,8]naphthyridin-6-one
SMILESNc1ccc(Oc2ccnc3c2=C2CCCCC2C(=O)N=3)cc1
InChIInChI=1S/C18H17N3O2/c19-11-5-7-12(8-6-11)23-15-9-10-20-17-16(15)13-3-1-2-4-14(13)18(22)21-17/h5-10,14H,1-4,19H2
InChIKeyHXCHPANOCDTZOJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.96
Rot. Bonds2

About 1-(4-aminophenoxy)-7,8,9,10-tetrahydro-6aH-benzo[c][1,8]naphthyridin-6-one

1-(4-aminophenoxy)-7,8,9,10-tetrahydro-6aH-benzo[c][1,8]naphthyridin-6-one (PubChem CID 76831597) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(4-aminophenoxy)-7,8,9,10-tetrahydro-6aH-benzo[c][1,8]naphthyridin-6-one.

Molecular Properties

Compound Name1-(4-aminophenoxy)-7,8,9,10-tetrahydro-6aH-benzo[c][1,8]naphthyridin-6-one
PubChem CID76831597
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-(4-aminophenoxy)-7,8,9,10-tetrahydro-6aH-benzo[c][1,8]naphthyridin-6-one
SMILESNc1ccc(Oc2ccnc3c2=C2CCCCC2C(=O)N=3)cc1
InChIInChI=1S/C18H17N3O2/c19-11-5-7-12(8-6-11)23-15-9-10-20-17-16(15)13-3-1-2-4-14(13)18(22)21-17/h5-10,14H,1-4,19H2
InChIKeyHXCHPANOCDTZOJ-UHFFFAOYSA-N
XLogP1.96
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(3R)-2-amino-6-phenoxy-3,4-dihydroquinolin-3-yl]-N-cyclohexyl-N-methylpropanamide
CID 24743306
3-[(3S)-2-amino-6-phenoxy-3,4-dihydroquinolin-3-yl]-N-cyclohexyl-N-methylpropanamide
CID 24743307
3-(2-Amino-6-phenoxy-3,4-dihydro-quinolin-3-yl)-N-cyclohexyl-N-methyl-propionamide
CID 59428164
2-(4-ethoxyphenyl)imino-5,6,7,8-tetrahydro-4aH-quinazolin-4-one
CID 168005619

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenoxy)-7,8,9,10-tetrahydro-6aH-benzo[c][1,8]naphthyridin-6-one?
The IUPAC name of 1-(4-aminophenoxy)-7,8,9,10-tetrahydro-6aH-benzo[c][1,8]naphthyridin-6-one (CID 76831597) is 1-(4-aminophenoxy)-7,8,9,10-tetrahydro-6aH-benzo[c][1,8]naphthyridin-6-one.
What is the SMILES notation for 1-(4-aminophenoxy)-7,8,9,10-tetrahydro-6aH-benzo[c][1,8]naphthyridin-6-one?
The canonical SMILES for 1-(4-aminophenoxy)-7,8,9,10-tetrahydro-6aH-benzo[c][1,8]naphthyridin-6-one is Nc1ccc(Oc2ccnc3c2=C2CCCCC2C(=O)N=3)cc1.
What is the InChIKey of 1-(4-aminophenoxy)-7,8,9,10-tetrahydro-6aH-benzo[c][1,8]naphthyridin-6-one?
The InChIKey is HXCHPANOCDTZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-11-5-7-12(8-6-11)23-15-9-10-20-17-16(15)13-3-1-2-4-14(13)18(22)21-17/h5-10,14H,1-4,19H2.
What are the key properties of 1-(4-aminophenoxy)-7,8,9,10-tetrahydro-6aH-benzo[c][1,8]naphthyridin-6-one?
1-(4-aminophenoxy)-7,8,9,10-tetrahydro-6aH-benzo[c][1,8]naphthyridin-6-one has a molecular weight of 307.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenoxy)-7,8,9,10-tetrahydro-6aH-benzo[c][1,8]naphthyridin-6-one is sourced from PubChem (CID 76831597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).