2-imidazol-1-yl-9-methoxy-8-(2-pyrrolidin-1-ylethoxy)benzo[c][2,7]naphthyridine

C22H23N5O2 — CID 91196780

IUPAC2-imidazol-1-yl-9-methoxy-8-(2-pyrrolidin-1-ylethoxy)benzo[c][2,7]naphthyridine
SMILESCOc1cc2c(cc1OCCN1CCCC1)ncc1cnc(-n3ccnc3)cc12
InChIInChI=1S/C22H23N5O2/c1-28-20-10-18-17-11-22(27-7-4-23-15-27)25-14-16(17)13-24-19(18)12-21(20)29-9-8-26-5-2-3-6-26/h4,7,10-15H,2-3,5-6,8-9H2,1H3
InChIKeyQUZNOFFNUGLCER-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.45
Rot. Bonds6

About 2-imidazol-1-yl-9-methoxy-8-(2-pyrrolidin-1-ylethoxy)benzo[c][2,7]naphthyridine

2-imidazol-1-yl-9-methoxy-8-(2-pyrrolidin-1-ylethoxy)benzo[c][2,7]naphthyridine (PubChem CID 91196780) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-imidazol-1-yl-9-methoxy-8-(2-pyrrolidin-1-ylethoxy)benzo[c][2,7]naphthyridine.

Molecular Properties

Compound Name2-imidazol-1-yl-9-methoxy-8-(2-pyrrolidin-1-ylethoxy)benzo[c][2,7]naphthyridine
PubChem CID91196780
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-imidazol-1-yl-9-methoxy-8-(2-pyrrolidin-1-ylethoxy)benzo[c][2,7]naphthyridine
SMILESCOc1cc2c(cc1OCCN1CCCC1)ncc1cnc(-n3ccnc3)cc12
InChIInChI=1S/C22H23N5O2/c1-28-20-10-18-17-11-22(27-7-4-23-15-27)25-14-16(17)13-24-19(18)12-21(20)29-9-8-26-5-2-3-6-26/h4,7,10-15H,2-3,5-6,8-9H2,1H3
InChIKeyQUZNOFFNUGLCER-UHFFFAOYSA-N
XLogP3.45
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-imidazol-1-yl-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 163446240
8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline
CID 135155449
6-methoxy-4-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carbonitrile
CID 69171695
9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline
CID 142687218
2-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]sulfanyl-1,3-thiazole
CID 57413470
6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 22649262
4-(3-chloro-4-fluoroanilino)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinoline-3-carboxamide
CID 44571099
7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one
CID 135490844
6-methoxy-4-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
CID 177382773
5-chloro-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine
CID 135155512
10-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridine
CID 137479056

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-9-methoxy-8-(2-pyrrolidin-1-ylethoxy)benzo[c][2,7]naphthyridine?
The IUPAC name of 2-imidazol-1-yl-9-methoxy-8-(2-pyrrolidin-1-ylethoxy)benzo[c][2,7]naphthyridine (CID 91196780) is 2-imidazol-1-yl-9-methoxy-8-(2-pyrrolidin-1-ylethoxy)benzo[c][2,7]naphthyridine.
What is the SMILES notation for 2-imidazol-1-yl-9-methoxy-8-(2-pyrrolidin-1-ylethoxy)benzo[c][2,7]naphthyridine?
The canonical SMILES for 2-imidazol-1-yl-9-methoxy-8-(2-pyrrolidin-1-ylethoxy)benzo[c][2,7]naphthyridine is COc1cc2c(cc1OCCN1CCCC1)ncc1cnc(-n3ccnc3)cc12.
What is the InChIKey of 2-imidazol-1-yl-9-methoxy-8-(2-pyrrolidin-1-ylethoxy)benzo[c][2,7]naphthyridine?
The InChIKey is QUZNOFFNUGLCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-28-20-10-18-17-11-22(27-7-4-23-15-27)25-14-16(17)13-24-19(18)12-21(20)29-9-8-26-5-2-3-6-26/h4,7,10-15H,2-3,5-6,8-9H2,1H3.
What are the key properties of 2-imidazol-1-yl-9-methoxy-8-(2-pyrrolidin-1-ylethoxy)benzo[c][2,7]naphthyridine?
2-imidazol-1-yl-9-methoxy-8-(2-pyrrolidin-1-ylethoxy)benzo[c][2,7]naphthyridine has a molecular weight of 389.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-9-methoxy-8-(2-pyrrolidin-1-ylethoxy)benzo[c][2,7]naphthyridine is sourced from PubChem (CID 91196780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).