N-[2-[3-(morpholine-4-carbonyl)-9H-pyrido[3,4-b]indol-1-yl]-5,8-dioxoquinolin-7-yl]acetamide

C27H21N5O5 — CID 11612953

IUPACN-[2-[3-(morpholine-4-carbonyl)-9H-pyrido[3,4-b]indol-1-yl]-5,8-dioxoquinolin-7-yl]acetamide
SMILESCC(=O)NC1=CC(=O)c2ccc(-c3nc(C(=O)N4CCOCC4)cc4c3[nH]c3ccccc34)nc2C1=O
InChIInChI=1S/C27H21N5O5/c1-14(33)28-20-13-22(34)16-6-7-19(30-24(16)26(20)35)25-23-17(15-4-2-3-5-18(15)29-23)12-21(31-25)27(36)32-8-10-37-11-9-32/h2-7,12-13,29H,8-11H2,1H3,(H,28,33)
InChIKeyQJPPJOZNGJONGA-UHFFFAOYSA-N
MW495.50 g/mol
LogP2.65
Rot. Bonds3

About N-[2-[3-(morpholine-4-carbonyl)-9H-pyrido[3,4-b]indol-1-yl]-5,8-dioxoquinolin-7-yl]acetamide

N-[2-[3-(morpholine-4-carbonyl)-9H-pyrido[3,4-b]indol-1-yl]-5,8-dioxoquinolin-7-yl]acetamide (PubChem CID 11612953) has the molecular formula C27H21N5O5 and a molecular weight of 495.50 g/mol. Its IUPAC name is N-[2-[3-(morpholine-4-carbonyl)-9H-pyrido[3,4-b]indol-1-yl]-5,8-dioxoquinolin-7-yl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(morpholine-4-carbonyl)-9H-pyrido[3,4-b]indol-1-yl]-5,8-dioxoquinolin-7-yl]acetamide
PubChem CID11612953
Molecular FormulaC27H21N5O5
Molecular Weight495.50 g/mol
Exact Mass495.15
IUPAC NameN-[2-[3-(morpholine-4-carbonyl)-9H-pyrido[3,4-b]indol-1-yl]-5,8-dioxoquinolin-7-yl]acetamide
SMILESCC(=O)NC1=CC(=O)c2ccc(-c3nc(C(=O)N4CCOCC4)cc4c3[nH]c3ccccc34)nc2C1=O
InChIInChI=1S/C27H21N5O5/c1-14(33)28-20-13-22(34)16-6-7-19(30-24(16)26(20)35)25-23-17(15-4-2-3-5-18(15)29-23)12-21(31-25)27(36)32-8-10-37-11-9-32/h2-7,12-13,29H,8-11H2,1H3,(H,28,33)
InChIKeyQJPPJOZNGJONGA-UHFFFAOYSA-N
XLogP2.65
TPSA134.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.50
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(morpholine-4-carbonyl)-9H-pyrido[3,4-b]indol-1-yl]-5,8-dioxoquinolin-7-yl]acetamide?
The IUPAC name of N-[2-[3-(morpholine-4-carbonyl)-9H-pyrido[3,4-b]indol-1-yl]-5,8-dioxoquinolin-7-yl]acetamide (CID 11612953) is N-[2-[3-(morpholine-4-carbonyl)-9H-pyrido[3,4-b]indol-1-yl]-5,8-dioxoquinolin-7-yl]acetamide.
What is the SMILES notation for N-[2-[3-(morpholine-4-carbonyl)-9H-pyrido[3,4-b]indol-1-yl]-5,8-dioxoquinolin-7-yl]acetamide?
The canonical SMILES for N-[2-[3-(morpholine-4-carbonyl)-9H-pyrido[3,4-b]indol-1-yl]-5,8-dioxoquinolin-7-yl]acetamide is CC(=O)NC1=CC(=O)c2ccc(-c3nc(C(=O)N4CCOCC4)cc4c3[nH]c3ccccc34)nc2C1=O.
What is the InChIKey of N-[2-[3-(morpholine-4-carbonyl)-9H-pyrido[3,4-b]indol-1-yl]-5,8-dioxoquinolin-7-yl]acetamide?
The InChIKey is QJPPJOZNGJONGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O5/c1-14(33)28-20-13-22(34)16-6-7-19(30-24(16)26(20)35)25-23-17(15-4-2-3-5-18(15)29-23)12-21(31-25)27(36)32-8-10-37-11-9-32/h2-7,12-13,29H,8-11H2,1H3,(H,28,33).
What are the key properties of N-[2-[3-(morpholine-4-carbonyl)-9H-pyrido[3,4-b]indol-1-yl]-5,8-dioxoquinolin-7-yl]acetamide?
N-[2-[3-(morpholine-4-carbonyl)-9H-pyrido[3,4-b]indol-1-yl]-5,8-dioxoquinolin-7-yl]acetamide has a molecular weight of 495.50 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(morpholine-4-carbonyl)-9H-pyrido[3,4-b]indol-1-yl]-5,8-dioxoquinolin-7-yl]acetamide is sourced from PubChem (CID 11612953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).