N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide

C29H35ClN4O2 — CID 89018125

IUPACN-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide
SMILESC=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cncc3CN(C)C(=O)C(CC)CC)cccc12
InChIInChI=1S/C29H35ClN4O2/c1-7-14-34(10-4)26-15-20(5)32-28-23(26)12-11-13-27(28)36-19-24-22(16-31-17-25(24)30)18-33(6)29(35)21(8-2)9-3/h7,10-17,21H,4,8-9,18-19H2,1-3,5-6H3/b14-7-
InChIKeyWYYBTBHZSGJIBG-AUWJEWJLSA-N
MW507.08 g/mol
LogP7.05
Rot. Bonds11

About N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide

N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide (PubChem CID 89018125) has the molecular formula C29H35ClN4O2 and a molecular weight of 507.08 g/mol. Its IUPAC name is N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide.

Molecular Properties

Compound NameN-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide
PubChem CID89018125
Molecular FormulaC29H35ClN4O2
Molecular Weight507.08 g/mol
Exact Mass506.24
IUPAC NameN-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide
SMILESC=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cncc3CN(C)C(=O)C(CC)CC)cccc12
InChIInChI=1S/C29H35ClN4O2/c1-7-14-34(10-4)26-15-20(5)32-28-23(26)12-11-13-27(28)36-19-24-22(16-31-17-25(24)30)18-33(6)29(35)21(8-2)9-3/h7,10-17,21H,4,8-9,18-19H2,1-3,5-6H3/b14-7-
InChIKeyWYYBTBHZSGJIBG-AUWJEWJLSA-N
XLogP7.05
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.08
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide with MolForge

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Related Compounds

N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-propylpropanamide
CID 89017923
N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]butanamide
CID 89017954
1-[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]propyl N,N-dimethylcarbamate
CID 89018054
N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide
CID 59484045
1-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methylimidazolidin-2-one
CID 89017934
8-[(3-chloro-5-thiophen-2-ylsulfanyl-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine
CID 88952729
8-[[3-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-pyridinyl]methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine
CID 89229082
8-[(3,5-dichloro-2-methoxy-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine
CID 89018042
N'-[3,5-dichloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]ethane-1,2-diamine
CID 89017985
N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide
CID 145480874
8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methyl-N-(1-phenylethenyl)-N-[(Z)-prop-1-enyl]quinolin-4-amine
CID 89229064
1-[5-chloro-4-[[4-[(1Z)-1-(dimethylamino)buta-1,3-dienyl]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]ethanone
CID 89018047

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide?
The IUPAC name of N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide (CID 89018125) is N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide.
What is the SMILES notation for N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide?
The canonical SMILES for N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide is C=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cncc3CN(C)C(=O)C(CC)CC)cccc12.
What is the InChIKey of N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide?
The InChIKey is WYYBTBHZSGJIBG-AUWJEWJLSA-N. The full InChI is InChI=1S/C29H35ClN4O2/c1-7-14-34(10-4)26-15-20(5)32-28-23(26)12-11-13-27(28)36-19-24-22(16-31-17-25(24)30)18-33(6)29(35)21(8-2)9-3/h7,10-17,21H,4,8-9,18-19H2,1-3,5-6H3/b14-7-.
What are the key properties of N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide?
N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide has a molecular weight of 507.08 g/mol, XLogP of 7.05, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide is sourced from PubChem (CID 89018125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).