8-(2-chloroethoxy)-2-imidazol-1-yl-9-methoxybenzo[f][2,7]naphthyridin-4-amine

C18H16ClN5O2 — CID 69190327

IUPAC8-(2-chloroethoxy)-2-imidazol-1-yl-9-methoxybenzo[f][2,7]naphthyridin-4-amine
SMILESCOc1cc2c(cc1OCCCl)ncc1c(N)nc(-n3ccnc3)cc12
InChIInChI=1S/C18H16ClN5O2/c1-25-15-6-12-11-7-17(24-4-3-21-10-24)23-18(20)13(11)9-22-14(12)8-16(15)26-5-2-19/h3-4,6-10H,2,5H2,1H3,(H2,20,23)
InChIKeyPSUJNQDAWGXAPN-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.18
Rot. Bonds5

About 8-(2-chloroethoxy)-2-imidazol-1-yl-9-methoxybenzo[f][2,7]naphthyridin-4-amine

8-(2-chloroethoxy)-2-imidazol-1-yl-9-methoxybenzo[f][2,7]naphthyridin-4-amine (PubChem CID 69190327) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is 8-(2-chloroethoxy)-2-imidazol-1-yl-9-methoxybenzo[f][2,7]naphthyridin-4-amine.

Molecular Properties

Compound Name8-(2-chloroethoxy)-2-imidazol-1-yl-9-methoxybenzo[f][2,7]naphthyridin-4-amine
PubChem CID69190327
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name8-(2-chloroethoxy)-2-imidazol-1-yl-9-methoxybenzo[f][2,7]naphthyridin-4-amine
SMILESCOc1cc2c(cc1OCCCl)ncc1c(N)nc(-n3ccnc3)cc12
InChIInChI=1S/C18H16ClN5O2/c1-25-15-6-12-11-7-17(24-4-3-21-10-24)23-18(20)13(11)9-22-14(12)8-16(15)26-5-2-19/h3-4,6-10H,2,5H2,1H3,(H2,20,23)
InChIKeyPSUJNQDAWGXAPN-UHFFFAOYSA-N
XLogP3.18
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-imidazol-1-yl-9-methoxy-8-(2-pyrrolidin-1-ylethoxy)benzo[c][2,7]naphthyridine
CID 91196780
2-chloro-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 59849526
8-[4-(4-ethylpiperazin-1-yl)but-1-ynyl]-2-imidazol-1-ylbenzo[f][2,7]naphthyridin-4-amine
CID 69189901
2-[5-(3-aminopropoxy)-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69171263
2-(6-amino-2-imidazol-1-ylquinolin-4-yl)oxyethanol
CID 171536473
2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-9-methoxy-8-(2-methoxyethoxy)benzo[f][2,7]naphthyridin-4-amine
CID 69171285
7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one
CID 135589778
2-[5-(2-aminopropoxy)-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69169898
2-[5-[(2R)-2-amino-3-(1-methylimidazol-2-yl)sulfanylpropoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69190372
7-(2-chloroethoxy)-4-(3-hydroxy-4-methylanilino)-6-methoxyquinoline-3-carbonitrile
CID 22466649
7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one
CID 135490844
2-[5-[(4-amino-2-pyridinyl)oxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69170042

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloroethoxy)-2-imidazol-1-yl-9-methoxybenzo[f][2,7]naphthyridin-4-amine?
The IUPAC name of 8-(2-chloroethoxy)-2-imidazol-1-yl-9-methoxybenzo[f][2,7]naphthyridin-4-amine (CID 69190327) is 8-(2-chloroethoxy)-2-imidazol-1-yl-9-methoxybenzo[f][2,7]naphthyridin-4-amine.
What is the SMILES notation for 8-(2-chloroethoxy)-2-imidazol-1-yl-9-methoxybenzo[f][2,7]naphthyridin-4-amine?
The canonical SMILES for 8-(2-chloroethoxy)-2-imidazol-1-yl-9-methoxybenzo[f][2,7]naphthyridin-4-amine is COc1cc2c(cc1OCCCl)ncc1c(N)nc(-n3ccnc3)cc12.
What is the InChIKey of 8-(2-chloroethoxy)-2-imidazol-1-yl-9-methoxybenzo[f][2,7]naphthyridin-4-amine?
The InChIKey is PSUJNQDAWGXAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-25-15-6-12-11-7-17(24-4-3-21-10-24)23-18(20)13(11)9-22-14(12)8-16(15)26-5-2-19/h3-4,6-10H,2,5H2,1H3,(H2,20,23).
What are the key properties of 8-(2-chloroethoxy)-2-imidazol-1-yl-9-methoxybenzo[f][2,7]naphthyridin-4-amine?
8-(2-chloroethoxy)-2-imidazol-1-yl-9-methoxybenzo[f][2,7]naphthyridin-4-amine has a molecular weight of 369.81 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloroethoxy)-2-imidazol-1-yl-9-methoxybenzo[f][2,7]naphthyridin-4-amine is sourced from PubChem (CID 69190327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).