5-[3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-[(1-methylimidazol-4-yl)methoxy]quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxopropyl]-N-methylpyridine-2-carboxamide

C35H35Cl2N7O5 — CID 66760409

IUPAC5-[3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-[(1-methylimidazol-4-yl)methoxy]quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxopropyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(CCC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(OCc5cn(C)cn5)cc(C)nc34)c2Cl)cn1
InChIInChI=1S/C35H35Cl2N7O5/c1-21-14-30(48-18-23-17-43(3)20-41-23)24-6-5-7-29(34(24)42-21)49-19-25-26(36)10-12-28(33(25)37)44(4)32(46)16-40-31(45)13-9-22-8-11-27(39-15-22)35(47)38-2/h5-8,10-12,14-15,17,20H,9,13,16,18-19H2,1-4H3,(H,38,47)(H,40,45)
InChIKeyMNMIISGGNQUAAH-UHFFFAOYSA-N
MW704.62 g/mol
LogP5.21
Rot. Bonds13

About 5-[3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-[(1-methylimidazol-4-yl)methoxy]quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxopropyl]-N-methylpyridine-2-carboxamide

5-[3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-[(1-methylimidazol-4-yl)methoxy]quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxopropyl]-N-methylpyridine-2-carboxamide (PubChem CID 66760409) has the molecular formula C35H35Cl2N7O5 and a molecular weight of 704.62 g/mol. Its IUPAC name is 5-[3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-[(1-methylimidazol-4-yl)methoxy]quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxopropyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-[(1-methylimidazol-4-yl)methoxy]quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxopropyl]-N-methylpyridine-2-carboxamide
PubChem CID66760409
Molecular FormulaC35H35Cl2N7O5
Molecular Weight704.62 g/mol
Exact Mass703.21
IUPAC Name5-[3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-[(1-methylimidazol-4-yl)methoxy]quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxopropyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(CCC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(OCc5cn(C)cn5)cc(C)nc34)c2Cl)cn1
InChIInChI=1S/C35H35Cl2N7O5/c1-21-14-30(48-18-23-17-43(3)20-41-23)24-6-5-7-29(34(24)42-21)49-19-25-26(36)10-12-28(33(25)37)44(4)32(46)16-40-31(45)13-9-22-8-11-27(39-15-22)35(47)38-2/h5-8,10-12,14-15,17,20H,9,13,16,18-19H2,1-4H3,(H,38,47)(H,40,45)
InChIKeyMNMIISGGNQUAAH-UHFFFAOYSA-N
XLogP5.21
TPSA140.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.62
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-[(1-methylimidazol-4-yl)methoxy]quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxopropyl]-N-methylpyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[2,4-dichloro-3-[(4-methoxy-2-methylquinolin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]butanamide;hydrochloride
CID 22113304
5-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-4-morpholin-4-ylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylpyridine-2-carboxamide;hydrochloride
CID 45261025
2-acetamido-N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 18704953
N-[2-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]pyridine-4-carboxamide
CID 18704944
4-[(E)-3-[[2-[2,4-dichloro-3-[[4-(2-methoxyethoxy)-2-methylquinolin-8-yl]oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 19603486
4-[3-[[2-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 67609852
4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-(4-methylpiperazin-1-yl)quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 11239381
4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-(pyridin-2-ylmethoxy)quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;(E)-N-[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-(pyridin-2-ylmethoxy)quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]-3-[6-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]prop-2-enamide
CID 160625015
2-[(2-bromoacetyl)amino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 19603254
N-[2,4-dichloro-3-[(4-methoxy-2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-[[3-(4-methylpiperazine-1-carbonyl)phenyl]carbamoylamino]acetamide
CID 22113284
3-[[2-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-pyridin-4-ylbenzamide
CID 11377538
5-[3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-4-morpholin-4-ylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 54128138

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-[(1-methylimidazol-4-yl)methoxy]quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxopropyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-[(1-methylimidazol-4-yl)methoxy]quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxopropyl]-N-methylpyridine-2-carboxamide (CID 66760409) is 5-[3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-[(1-methylimidazol-4-yl)methoxy]quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxopropyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-[(1-methylimidazol-4-yl)methoxy]quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxopropyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-[(1-methylimidazol-4-yl)methoxy]quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxopropyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(CCC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(OCc5cn(C)cn5)cc(C)nc34)c2Cl)cn1.
What is the InChIKey of 5-[3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-[(1-methylimidazol-4-yl)methoxy]quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxopropyl]-N-methylpyridine-2-carboxamide?
The InChIKey is MNMIISGGNQUAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35Cl2N7O5/c1-21-14-30(48-18-23-17-43(3)20-41-23)24-6-5-7-29(34(24)42-21)49-19-25-26(36)10-12-28(33(25)37)44(4)32(46)16-40-31(45)13-9-22-8-11-27(39-15-22)35(47)38-2/h5-8,10-12,14-15,17,20H,9,13,16,18-19H2,1-4H3,(H,38,47)(H,40,45).
What are the key properties of 5-[3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-[(1-methylimidazol-4-yl)methoxy]quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxopropyl]-N-methylpyridine-2-carboxamide?
5-[3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-[(1-methylimidazol-4-yl)methoxy]quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxopropyl]-N-methylpyridine-2-carboxamide has a molecular weight of 704.62 g/mol, XLogP of 5.21, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-[(1-methylimidazol-4-yl)methoxy]quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxopropyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 66760409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).