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

C29H34N4O2 — CID 145480874

IUPACN-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide
SMILESC=CN(/C=C\C)c1cc(C)nc2c(OCc3c(C)cncc3CNC(=O)C3CCCC3)cccc12
InChIInChI=1S/C29H34N4O2/c1-5-14-33(6-2)26-15-21(4)32-28-24(26)12-9-13-27(28)35-19-25-20(3)16-30-17-23(25)18-31-29(34)22-10-7-8-11-22/h5-6,9,12-17,22H,2,7-8,10-11,18-19H2,1,3-4H3,(H,31,34)/b14-5-
InChIKeyGBXMDRFLMQSHSR-RZNTYIFUSA-N
MW470.62 g/mol
LogP6.12
Rot. Bonds9

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

N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide (PubChem CID 145480874) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide
PubChem CID145480874
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC NameN-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide
SMILESC=CN(/C=C\C)c1cc(C)nc2c(OCc3c(C)cncc3CNC(=O)C3CCCC3)cccc12
InChIInChI=1S/C29H34N4O2/c1-5-14-33(6-2)26-15-21(4)32-28-24(26)12-9-13-27(28)35-19-25-20(3)16-30-17-23(25)18-31-29(34)22-10-7-8-11-22/h5-6,9,12-17,22H,2,7-8,10-11,18-19H2,1,3-4H3,(H,31,34)/b14-5-
InChIKeyGBXMDRFLMQSHSR-RZNTYIFUSA-N
XLogP6.12
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]butanamide
CID 89017954
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]-2-ethyl-N-methylbutanamide
CID 89018125
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
N-[[5-chloro-4-[[2-methyl-4-(3-methyl-1,2-oxazol-4-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]cyclohexanecarboxamide;ethane
CID 145481052
1-[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]propyl N,N-dimethylcarbamate
CID 89018054
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
8-[(3-chloro-5-thiophen-2-ylsulfanyl-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine
CID 88952729
2-methyl-N-[[5-methyl-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]propanamide
CID 59484079
N-[[5-chloro-4-[[4-[(1Z)-1-(dimethylamino)buta-1,3-dienyl]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-hydroxypropanamide
CID 89018007
2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane
CID 145480952

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide (CID 145480874) is N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide is C=CN(/C=C\C)c1cc(C)nc2c(OCc3c(C)cncc3CNC(=O)C3CCCC3)cccc12.
What is the InChIKey of N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide?
The InChIKey is GBXMDRFLMQSHSR-RZNTYIFUSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-5-14-33(6-2)26-15-21(4)32-28-24(26)12-9-13-27(28)35-19-25-20(3)16-30-17-23(25)18-31-29(34)22-10-7-8-11-22/h5-6,9,12-17,22H,2,7-8,10-11,18-19H2,1,3-4H3,(H,31,34)/b14-5-.
What are the key properties of N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide?
N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide has a molecular weight of 470.62 g/mol, XLogP of 6.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-5-methyl-3-pyridinyl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 145480874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).