N-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide

C26H28N6O3 — CID 57401721

IUPACN-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide
SMILESC=C(CN1CCOCC1)C(=O)Nc1cc2c(cc1OC)nc(Nc1ccccc1C)c1cncn12
InChIInChI=1S/C26H28N6O3/c1-17-6-4-5-7-19(17)28-25-23-14-27-16-32(23)22-12-21(24(34-3)13-20(22)29-25)30-26(33)18(2)15-31-8-10-35-11-9-31/h4-7,12-14,16H,2,8-11,15H2,1,3H3,(H,28,29)(H,30,33)
InChIKeyMJRCQYZPKKMPKZ-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.77
Rot. Bonds7

About N-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide

N-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide (PubChem CID 57401721) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide
PubChem CID57401721
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC NameN-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide
SMILESC=C(CN1CCOCC1)C(=O)Nc1cc2c(cc1OC)nc(Nc1ccccc1C)c1cncn12
InChIInChI=1S/C26H28N6O3/c1-17-6-4-5-7-19(17)28-25-23-14-27-16-32(23)22-12-21(24(34-3)13-20(22)29-25)30-26(33)18(2)15-31-8-10-35-11-9-31/h4-7,12-14,16H,2,8-11,15H2,1,3H3,(H,28,29)(H,30,33)
InChIKeyMJRCQYZPKKMPKZ-UHFFFAOYSA-N
XLogP3.77
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide?
The IUPAC name of N-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide (CID 57401721) is N-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for N-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide is C=C(CN1CCOCC1)C(=O)Nc1cc2c(cc1OC)nc(Nc1ccccc1C)c1cncn12.
What is the InChIKey of N-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide?
The InChIKey is MJRCQYZPKKMPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-17-6-4-5-7-19(17)28-25-23-14-27-16-32(23)22-12-21(24(34-3)13-20(22)29-25)30-26(33)18(2)15-31-8-10-35-11-9-31/h4-7,12-14,16H,2,8-11,15H2,1,3H3,(H,28,29)(H,30,33).
What are the key properties of N-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide?
N-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide has a molecular weight of 472.55 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 57401721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).