4-[3-chloro-4-[(cyclopropylcarbamoylamino)methyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide

C27H30ClN5O5 — CID 16734304

IUPAC4-[3-chloro-4-[(cyclopropylcarbamoylamino)methyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(CNC(=O)NC4CC4)c(Cl)c3)ccnc2cc1OCCN1CCOCC1
InChIInChI=1S/C27H30ClN5O5/c28-22-13-19(4-1-17(22)16-31-27(35)32-18-2-3-18)38-24-5-6-30-23-15-25(21(26(29)34)14-20(23)24)37-12-9-33-7-10-36-11-8-33/h1,4-6,13-15,18H,2-3,7-12,16H2,(H2,29,34)(H2,31,32,35)
InChIKeyLFABUZMRXQALFU-UHFFFAOYSA-N
MW540.02 g/mol
LogP3.45
Rot. Bonds10

About 4-[3-chloro-4-[(cyclopropylcarbamoylamino)methyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide

4-[3-chloro-4-[(cyclopropylcarbamoylamino)methyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide (PubChem CID 16734304) has the molecular formula C27H30ClN5O5 and a molecular weight of 540.02 g/mol. Its IUPAC name is 4-[3-chloro-4-[(cyclopropylcarbamoylamino)methyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-4-[(cyclopropylcarbamoylamino)methyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide
PubChem CID16734304
Molecular FormulaC27H30ClN5O5
Molecular Weight540.02 g/mol
Exact Mass539.19
IUPAC Name4-[3-chloro-4-[(cyclopropylcarbamoylamino)methyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(CNC(=O)NC4CC4)c(Cl)c3)ccnc2cc1OCCN1CCOCC1
InChIInChI=1S/C27H30ClN5O5/c28-22-13-19(4-1-17(22)16-31-27(35)32-18-2-3-18)38-24-5-6-30-23-15-25(21(26(29)34)14-20(23)24)37-12-9-33-7-10-36-11-8-33/h1,4-6,13-15,18H,2-3,7-12,16H2,(H2,29,34)(H2,31,32,35)
InChIKeyLFABUZMRXQALFU-UHFFFAOYSA-N
XLogP3.45
TPSA128.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.02
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[3-chloro-4-[(cyclopropylcarbamoylamino)methyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide with MolForge

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Related Compounds

4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide
CID 22936652
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-5-carboxamide
CID 67418690
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-(7-sulfanylheptoxy)quinoline-6-carboxamide
CID 155184854
4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide
CID 162200789
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-(2-methoxyethoxy)quinoline-6-carboxylic acid
CID 58931191
2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 139932135
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]quinoline-6-carboxamide
CID 58272663
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-N-(2-piperidin-1-ylethyl)quinoline-6-carboxamide
CID 58931180
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-N-ethyl-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 22936717
4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide
CID 157234662
1-[2-chloro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-3-cyclopropylpropan-2-one
CID 158558558
1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea
CID 22667116

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-[(cyclopropylcarbamoylamino)methyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide?
The IUPAC name of 4-[3-chloro-4-[(cyclopropylcarbamoylamino)methyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide (CID 16734304) is 4-[3-chloro-4-[(cyclopropylcarbamoylamino)methyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide.
What is the SMILES notation for 4-[3-chloro-4-[(cyclopropylcarbamoylamino)methyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide?
The canonical SMILES for 4-[3-chloro-4-[(cyclopropylcarbamoylamino)methyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide is NC(=O)c1cc2c(Oc3ccc(CNC(=O)NC4CC4)c(Cl)c3)ccnc2cc1OCCN1CCOCC1.
What is the InChIKey of 4-[3-chloro-4-[(cyclopropylcarbamoylamino)methyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide?
The InChIKey is LFABUZMRXQALFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O5/c28-22-13-19(4-1-17(22)16-31-27(35)32-18-2-3-18)38-24-5-6-30-23-15-25(21(26(29)34)14-20(23)24)37-12-9-33-7-10-36-11-8-33/h1,4-6,13-15,18H,2-3,7-12,16H2,(H2,29,34)(H2,31,32,35).
What are the key properties of 4-[3-chloro-4-[(cyclopropylcarbamoylamino)methyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide?
4-[3-chloro-4-[(cyclopropylcarbamoylamino)methyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide has a molecular weight of 540.02 g/mol, XLogP of 3.45, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-[(cyclopropylcarbamoylamino)methyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide is sourced from PubChem (CID 16734304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).