2-[3-(morpholine-4-carbonyl)phenyl]-5-oxo-N-(2-pyrrolidin-1-ylethyl)-7H-benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

C32H32N6O4 — CID 122692050

IUPAC2-[3-(morpholine-4-carbonyl)phenyl]-5-oxo-N-(2-pyrrolidin-1-ylethyl)-7H-benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESO=C(NCCN1CCCC1)c1c(=O)c2ccc(-c3cccc(C(=O)N4CCOCC4)c3)nc2n2c1[nH]c1ccccc12
InChIInChI=1S/C32H32N6O4/c39-28-23-10-11-24(21-6-5-7-22(20-21)32(41)37-16-18-42-19-17-37)34-29(23)38-26-9-2-1-8-25(26)35-30(38)27(28)31(40)33-12-15-36-13-3-4-14-36/h1-2,5-11,20,35H,3-4,12-19H2,(H,33,40)
InChIKeyIPRQVZDVQIBKDB-UHFFFAOYSA-N
MW564.65 g/mol
LogP3.29
Rot. Bonds6

About 2-[3-(morpholine-4-carbonyl)phenyl]-5-oxo-N-(2-pyrrolidin-1-ylethyl)-7H-benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

2-[3-(morpholine-4-carbonyl)phenyl]-5-oxo-N-(2-pyrrolidin-1-ylethyl)-7H-benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 122692050) has the molecular formula C32H32N6O4 and a molecular weight of 564.65 g/mol. Its IUPAC name is 2-[3-(morpholine-4-carbonyl)phenyl]-5-oxo-N-(2-pyrrolidin-1-ylethyl)-7H-benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name2-[3-(morpholine-4-carbonyl)phenyl]-5-oxo-N-(2-pyrrolidin-1-ylethyl)-7H-benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID122692050
Molecular FormulaC32H32N6O4
Molecular Weight564.65 g/mol
Exact Mass564.25
IUPAC Name2-[3-(morpholine-4-carbonyl)phenyl]-5-oxo-N-(2-pyrrolidin-1-ylethyl)-7H-benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESO=C(NCCN1CCCC1)c1c(=O)c2ccc(-c3cccc(C(=O)N4CCOCC4)c3)nc2n2c1[nH]c1ccccc12
InChIInChI=1S/C32H32N6O4/c39-28-23-10-11-24(21-6-5-7-22(20-21)32(41)37-16-18-42-19-17-37)34-29(23)38-26-9-2-1-8-25(26)35-30(38)27(28)31(40)33-12-15-36-13-3-4-14-36/h1-2,5-11,20,35H,3-4,12-19H2,(H,33,40)
InChIKeyIPRQVZDVQIBKDB-UHFFFAOYSA-N
XLogP3.29
TPSA112.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.65
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(morpholine-4-carbonyl)phenyl]-5-oxo-N-(2-pyrrolidin-1-ylethyl)-7H-benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of 2-[3-(morpholine-4-carbonyl)phenyl]-5-oxo-N-(2-pyrrolidin-1-ylethyl)-7H-benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (CID 122692050) is 2-[3-(morpholine-4-carbonyl)phenyl]-5-oxo-N-(2-pyrrolidin-1-ylethyl)-7H-benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for 2-[3-(morpholine-4-carbonyl)phenyl]-5-oxo-N-(2-pyrrolidin-1-ylethyl)-7H-benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for 2-[3-(morpholine-4-carbonyl)phenyl]-5-oxo-N-(2-pyrrolidin-1-ylethyl)-7H-benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is O=C(NCCN1CCCC1)c1c(=O)c2ccc(-c3cccc(C(=O)N4CCOCC4)c3)nc2n2c1[nH]c1ccccc12.
What is the InChIKey of 2-[3-(morpholine-4-carbonyl)phenyl]-5-oxo-N-(2-pyrrolidin-1-ylethyl)-7H-benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is IPRQVZDVQIBKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O4/c39-28-23-10-11-24(21-6-5-7-22(20-21)32(41)37-16-18-42-19-17-37)34-29(23)38-26-9-2-1-8-25(26)35-30(38)27(28)31(40)33-12-15-36-13-3-4-14-36/h1-2,5-11,20,35H,3-4,12-19H2,(H,33,40).
What are the key properties of 2-[3-(morpholine-4-carbonyl)phenyl]-5-oxo-N-(2-pyrrolidin-1-ylethyl)-7H-benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
2-[3-(morpholine-4-carbonyl)phenyl]-5-oxo-N-(2-pyrrolidin-1-ylethyl)-7H-benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 564.65 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(morpholine-4-carbonyl)phenyl]-5-oxo-N-(2-pyrrolidin-1-ylethyl)-7H-benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 122692050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).