2-chloro-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine

C14H12ClN3O2 — CID 59849526

IUPAC2-chloro-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
SMILESCOc1cc2ncc3c(N)nc(Cl)cc3c2cc1OC
InChIInChI=1S/C14H12ClN3O2/c1-19-11-3-8-7-4-13(15)18-14(16)9(7)6-17-10(8)5-12(11)20-2/h3-6H,1-2H3,(H2,16,18)
InChIKeyPXWFOJDWADQWDM-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.04
Rot. Bonds2

About 2-chloro-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine

2-chloro-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine (PubChem CID 59849526) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-chloro-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine.

Molecular Properties

Compound Name2-chloro-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
PubChem CID59849526
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name2-chloro-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
SMILESCOc1cc2ncc3c(N)nc(Cl)cc3c2cc1OC
InChIInChI=1S/C14H12ClN3O2/c1-19-11-3-8-7-4-13(15)18-14(16)9(7)6-17-10(8)5-12(11)20-2/h3-6H,1-2H3,(H2,16,18)
InChIKeyPXWFOJDWADQWDM-UHFFFAOYSA-N
XLogP3.04
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-(2-chloroethoxy)-2-imidazol-1-yl-9-methoxybenzo[f][2,7]naphthyridin-4-amine
CID 69190327
2-[5-(3-aminopropoxy)-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69171263
2-[5-(2-aminopropoxy)-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69169898
2-[5-[(4-amino-2-pyridinyl)oxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69170042
2-[5-[(2S)-2-amino-3-(2-chlorophenyl)propoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 46193131
2-[5-[(2R)-2-amino-3-[(4-chloro-2-pyridinyl)oxy]propoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69171077
4-chloro-6,7-dimethoxyquinolin-2-amine
CID 141028770
tert-butyl 3-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)pyrrolidine-1-carboxylate
CID 69171278
2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-9-methoxy-8-(2-methoxyethoxy)benzo[f][2,7]naphthyridin-4-amine
CID 69171285
2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-9-methoxy-8-(2,2,2-trifluoroethoxy)benzo[f][2,7]naphthyridin-4-amine
CID 69171280
2-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde
CID 87721313
tert-butyl N-[(2S)-1-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]butan-2-yl]carbamate
CID 91362706

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine?
The IUPAC name of 2-chloro-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine (CID 59849526) is 2-chloro-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine.
What is the SMILES notation for 2-chloro-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine?
The canonical SMILES for 2-chloro-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine is COc1cc2ncc3c(N)nc(Cl)cc3c2cc1OC.
What is the InChIKey of 2-chloro-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine?
The InChIKey is PXWFOJDWADQWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-19-11-3-8-7-4-13(15)18-14(16)9(7)6-17-10(8)5-12(11)20-2/h3-6H,1-2H3,(H2,16,18).
What are the key properties of 2-chloro-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine?
2-chloro-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine has a molecular weight of 289.72 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine is sourced from PubChem (CID 59849526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).