(2Z)-N-(2-chlorophenyl)-N'-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-ethylidenepropanediamide

C27H23ClN4O5 — CID 143321266

IUPAC(2Z)-N-(2-chlorophenyl)-N'-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-ethylidenepropanediamide
SMILESC/C=C(\C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C27H23ClN4O5/c1-4-17(26(33)31-20-8-6-5-7-19(20)28)27(34)32-25-10-9-16(15-30-25)37-22-11-12-29-21-14-24(36-3)23(35-2)13-18(21)22/h4-15H,1-3H3,(H,31,33)(H,30,32,34)/b17-4-
InChIKeyKPIZXDIRVWBYDO-INGKJJEOSA-N
MW518.96 g/mol
LogP5.62
Rot. Bonds8

About (2Z)-N-(2-chlorophenyl)-N'-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-ethylidenepropanediamide

(2Z)-N-(2-chlorophenyl)-N'-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-ethylidenepropanediamide (PubChem CID 143321266) has the molecular formula C27H23ClN4O5 and a molecular weight of 518.96 g/mol. Its IUPAC name is (2Z)-N-(2-chlorophenyl)-N'-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-ethylidenepropanediamide.

Molecular Properties

Compound Name(2Z)-N-(2-chlorophenyl)-N'-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-ethylidenepropanediamide
PubChem CID143321266
Molecular FormulaC27H23ClN4O5
Molecular Weight518.96 g/mol
Exact Mass518.14
IUPAC Name(2Z)-N-(2-chlorophenyl)-N'-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-ethylidenepropanediamide
SMILESC/C=C(\C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C27H23ClN4O5/c1-4-17(26(33)31-20-8-6-5-7-19(20)28)27(34)32-25-10-9-16(15-30-25)37-22-11-12-29-21-14-24(36-3)23(35-2)13-18(21)22/h4-15H,1-3H3,(H,31,33)(H,30,32,34)/b17-4-
InChIKeyKPIZXDIRVWBYDO-INGKJJEOSA-N
XLogP5.62
TPSA111.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.96
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

1-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-(2-phenylethyl)urea
CID 11626442
7-[4-[4-[(2-chlorophenyl)carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-N-hydroxyheptanamide
CID 162662388
1-(2,6-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11225457
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-ethylpyrazole-5-carboxamide
CID 122633132
4-[[6-[(2-chloroacetyl)carbamoylamino]-3-pyridinyl]oxy]-6-methoxyquinoline-7-carbothioic S-acid
CID 143152221
methyl 2-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-hydroxyphenyl]carbamoylcarbamoylamino]benzoate
CID 91515267
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
CID 22935499
4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxylic acid;hydrochloride
CID 171394597
[2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid
CID 68668429
1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 122633118
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
6,7-dimethoxy-4-quinolin-3-yloxyquinoline
CID 23078609

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(2-chlorophenyl)-N'-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-ethylidenepropanediamide?
The IUPAC name of (2Z)-N-(2-chlorophenyl)-N'-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-ethylidenepropanediamide (CID 143321266) is (2Z)-N-(2-chlorophenyl)-N'-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-ethylidenepropanediamide.
What is the SMILES notation for (2Z)-N-(2-chlorophenyl)-N'-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-ethylidenepropanediamide?
The canonical SMILES for (2Z)-N-(2-chlorophenyl)-N'-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-ethylidenepropanediamide is C/C=C(\C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of (2Z)-N-(2-chlorophenyl)-N'-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-ethylidenepropanediamide?
The InChIKey is KPIZXDIRVWBYDO-INGKJJEOSA-N. The full InChI is InChI=1S/C27H23ClN4O5/c1-4-17(26(33)31-20-8-6-5-7-19(20)28)27(34)32-25-10-9-16(15-30-25)37-22-11-12-29-21-14-24(36-3)23(35-2)13-18(21)22/h4-15H,1-3H3,(H,31,33)(H,30,32,34)/b17-4-.
What are the key properties of (2Z)-N-(2-chlorophenyl)-N'-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-ethylidenepropanediamide?
(2Z)-N-(2-chlorophenyl)-N'-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-ethylidenepropanediamide has a molecular weight of 518.96 g/mol, XLogP of 5.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(2-chlorophenyl)-N'-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-ethylidenepropanediamide is sourced from PubChem (CID 143321266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).