N-[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]-3-[4-(propanoylamino)phenyl]prop-2-enamide;hydrochloride

C30H29Cl4N5O4 — CID 67626330

About N-[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]-3-[4-(propanoylamino)phenyl]prop-2-enamide;hydrochloride

N-[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]-3-[4-(propanoylamino)phenyl]prop-2-enamide;hydrochloride (PubChem CID 67626330) has the molecular formula C30H29Cl4N5O4 and a molecular weight of 665.41 g/mol. Its IUPAC name is N-[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]-3-[4-(propanoylamino)phenyl]prop-2-enamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]-3-[4-(propanoylamino)phenyl]prop-2-enamide;hydrochloride
• PubChem CID: 67626330
• Molecular Formula: C30H29Cl4N5O4
• Molecular Weight: 665.41 g/mol
• Exact Mass: 663.10
• IUPAC Name: N-[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]-3-[4-(propanoylamino)phenyl]prop-2-enamide;hydrochloride
• SMILES: CCC(=O)Nc1ccc(C=CC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Cl)c(C)nc34)c2Cl)cc1.Cl
• InChI: InChI=1S/C30H28Cl3N5O4.ClH/c1-4-25(39)36-20-10-7-19(8-11-20)9-14-26(40)34-16-27(41)37(3)23-13-12-22(31)21(28(23)32)17-42-24-6-5-15-38-29(33)18(2)35-30(24)38;/h5-15H,4,16-17H2,1-3H3,(H,34,40)(H,36,39);1H
• InChIKey: RGJAGDXIVZTCOS-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 105.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.41
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]-3-[4-(propanoylamino)phenyl]prop-2-enamide;hydrochloride?

The IUPAC name of N-[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]-3-[4-(propanoylamino)phenyl]prop-2-enamide;hydrochloride (CID 67626330) is N-[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]-3-[4-(propanoylamino)phenyl]prop-2-enamide;hydrochloride.

What is the SMILES notation for N-[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]-3-[4-(propanoylamino)phenyl]prop-2-enamide;hydrochloride?

The canonical SMILES for N-[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]-3-[4-(propanoylamino)phenyl]prop-2-enamide;hydrochloride is CCC(=O)Nc1ccc(C=CC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Cl)c(C)nc34)c2Cl)cc1.Cl.

What is the InChIKey of N-[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]-3-[4-(propanoylamino)phenyl]prop-2-enamide;hydrochloride?

The InChIKey is RGJAGDXIVZTCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28Cl3N5O4.ClH/c1-4-25(39)36-20-10-7-19(8-11-20)9-14-26(40)34-16-27(41)37(3)23-13-12-22(31)21(28(23)32)17-42-24-6-5-15-38-29(33)18(2)35-30(24)38;/h5-15H,4,16-17H2,1-3H3,(H,34,40)(H,36,39);1H.

What are the key properties of N-[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]-3-[4-(propanoylamino)phenyl]prop-2-enamide;hydrochloride?

N-[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]-3-[4-(propanoylamino)phenyl]prop-2-enamide;hydrochloride has a molecular weight of 665.41 g/mol, XLogP of 6.74, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2,4-dichloro-3-[(3-chloro-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]-3-[4-(propanoylamino)phenyl]prop-2-enamide;hydrochloride is sourced from PubChem (CID 67626330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).