benzyl-[2-[[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoethyl]carbamic acid

C26H24N4O6 — CID 69271238

IUPACbenzyl-[2-[[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoethyl]carbamic acid
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)CN(Cc4ccccc4)C(=O)O)cn3)c2cc1OC
InChIInChI=1S/C26H24N4O6/c1-34-22-12-19-20(13-23(22)35-2)27-11-10-21(19)36-25-9-8-18(14-28-25)29-24(31)16-30(26(32)33)15-17-6-4-3-5-7-17/h3-14H,15-16H2,1-2H3,(H,29,31)(H,32,33)
InChIKeyCYBMOVCKQYMMRT-UHFFFAOYSA-N
MW488.50 g/mol
LogP4.56
Rot. Bonds9

About benzyl-[2-[[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoethyl]carbamic acid

benzyl-[2-[[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoethyl]carbamic acid (PubChem CID 69271238) has the molecular formula C26H24N4O6 and a molecular weight of 488.50 g/mol. Its IUPAC name is benzyl-[2-[[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Namebenzyl-[2-[[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoethyl]carbamic acid
PubChem CID69271238
Molecular FormulaC26H24N4O6
Molecular Weight488.50 g/mol
Exact Mass488.17
IUPAC Namebenzyl-[2-[[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoethyl]carbamic acid
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)CN(Cc4ccccc4)C(=O)O)cn3)c2cc1OC
InChIInChI=1S/C26H24N4O6/c1-34-22-12-19-20(13-23(22)35-2)27-11-10-21(19)36-25-9-8-18(14-28-25)29-24(31)16-30(26(32)33)15-17-6-4-3-5-7-17/h3-14H,15-16H2,1-2H3,(H,29,31)(H,32,33)
InChIKeyCYBMOVCKQYMMRT-UHFFFAOYSA-N
XLogP4.56
TPSA123.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze benzyl-[2-[[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoethyl]carbamic acid with MolForge

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Related Compounds

3-cyclohexa-1,5-dien-1-yl-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]propanamide
CID 134566482
N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-3-phenylpropanamide
CID 90768602
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate
CID 175032455
6-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-7-phenylmethoxyquinoline
CID 68837215
N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide
CID 143025933
2-(3,4-dimethoxyphenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 152648895
2-(6,7-dimethoxyquinolin-4-yl)oxy-N-[6-(dimethylamino)-3-pyridinyl]naphthalene-1-carboxamide
CID 87832914
1-[2-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-pyridin-3-ylurea
CID 67202836
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide
CID 59813522
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-(3-methoxyphenyl)acetamide
CID 59791994

Frequently Asked Questions

What is the IUPAC name of benzyl-[2-[[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoethyl]carbamic acid?
The IUPAC name of benzyl-[2-[[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoethyl]carbamic acid (CID 69271238) is benzyl-[2-[[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoethyl]carbamic acid.
What is the SMILES notation for benzyl-[2-[[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoethyl]carbamic acid?
The canonical SMILES for benzyl-[2-[[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoethyl]carbamic acid is COc1cc2nccc(Oc3ccc(NC(=O)CN(Cc4ccccc4)C(=O)O)cn3)c2cc1OC.
What is the InChIKey of benzyl-[2-[[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoethyl]carbamic acid?
The InChIKey is CYBMOVCKQYMMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O6/c1-34-22-12-19-20(13-23(22)35-2)27-11-10-21(19)36-25-9-8-18(14-28-25)29-24(31)16-30(26(32)33)15-17-6-4-3-5-7-17/h3-14H,15-16H2,1-2H3,(H,29,31)(H,32,33).
What are the key properties of benzyl-[2-[[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoethyl]carbamic acid?
benzyl-[2-[[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoethyl]carbamic acid has a molecular weight of 488.50 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-[[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoethyl]carbamic acid is sourced from PubChem (CID 69271238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).