4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-ethoxyethyl)-7-methoxyquinoline-6-carboxamide

C23H25ClN4O5 — CID 11612547

IUPAC4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-ethoxyethyl)-7-methoxyquinoline-6-carboxamide
SMILESCCOCCNC(=O)c1cc2c(Oc3ccc(NC(=O)NC)c(Cl)c3)ccnc2cc1OC
InChIInChI=1S/C23H25ClN4O5/c1-4-32-10-9-27-22(29)16-12-15-19(13-21(16)31-3)26-8-7-20(15)33-14-5-6-18(17(24)11-14)28-23(30)25-2/h5-8,11-13H,4,9-10H2,1-3H3,(H,27,29)(H2,25,28,30)
InChIKeyAOKMTGASYSQDSL-UHFFFAOYSA-N
MW472.93 g/mol
LogP4.21
Rot. Bonds9

About 4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-ethoxyethyl)-7-methoxyquinoline-6-carboxamide

4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-ethoxyethyl)-7-methoxyquinoline-6-carboxamide (PubChem CID 11612547) has the molecular formula C23H25ClN4O5 and a molecular weight of 472.93 g/mol. Its IUPAC name is 4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-ethoxyethyl)-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-ethoxyethyl)-7-methoxyquinoline-6-carboxamide
PubChem CID11612547
Molecular FormulaC23H25ClN4O5
Molecular Weight472.93 g/mol
Exact Mass472.15
IUPAC Name4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-ethoxyethyl)-7-methoxyquinoline-6-carboxamide
SMILESCCOCCNC(=O)c1cc2c(Oc3ccc(NC(=O)NC)c(Cl)c3)ccnc2cc1OC
InChIInChI=1S/C23H25ClN4O5/c1-4-32-10-9-27-22(29)16-12-15-19(13-21(16)31-3)26-8-7-20(15)33-14-5-6-18(17(24)11-14)28-23(30)25-2/h5-8,11-13H,4,9-10H2,1-3H3,(H,27,29)(H2,25,28,30)
InChIKeyAOKMTGASYSQDSL-UHFFFAOYSA-N
XLogP4.21
TPSA110.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-N-(2-methoxyethyl)quinoline-6-carboxamide
CID 11540329
[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid
CID 155172684
4-[3-chloro-4-(ethylcarbamoylamino)phenoxy]-N-(2-cyanoethyl)-7-methoxyquinoline-6-carboxamide
CID 16718953
4-[4-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-3-chlorophenoxy]-7-methoxy-N-(2-methoxyethyl)quinoline-6-carboxamide
CID 142410632
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-N-(3-hydroxypropyl)-7-methoxyquinoline-6-carboxamide
CID 22936850
[2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid
CID 68668429
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-N-(2-piperidin-1-ylethyl)quinoline-6-carboxamide
CID 58931180
1-[2-chloro-4-[7-[3-(3-ethoxypropoxy)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-propan-2-ylurea
CID 144685795
4-[3-chloro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
CID 138706789
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-N-ethyl-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 22936717
4-[4-(carbamothioylamino)-3-chlorophenoxy]-N-hydroxy-7-methoxyquinoline-6-carboxamide
CID 145166681
4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-7-[(2S)-3-(diethylamino)-2-hydroxypropoxy]-N-methylquinoline-6-carboxamide
CID 66965711

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-ethoxyethyl)-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-ethoxyethyl)-7-methoxyquinoline-6-carboxamide (CID 11612547) is 4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-ethoxyethyl)-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-ethoxyethyl)-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-ethoxyethyl)-7-methoxyquinoline-6-carboxamide is CCOCCNC(=O)c1cc2c(Oc3ccc(NC(=O)NC)c(Cl)c3)ccnc2cc1OC.
What is the InChIKey of 4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-ethoxyethyl)-7-methoxyquinoline-6-carboxamide?
The InChIKey is AOKMTGASYSQDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O5/c1-4-32-10-9-27-22(29)16-12-15-19(13-21(16)31-3)26-8-7-20(15)33-14-5-6-18(17(24)11-14)28-23(30)25-2/h5-8,11-13H,4,9-10H2,1-3H3,(H,27,29)(H2,25,28,30).
What are the key properties of 4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-ethoxyethyl)-7-methoxyquinoline-6-carboxamide?
4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-ethoxyethyl)-7-methoxyquinoline-6-carboxamide has a molecular weight of 472.93 g/mol, XLogP of 4.21, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-ethoxyethyl)-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 11612547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).