N-[3-[(7-chloroquinolin-4-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylacetamide

C27H32ClN5O2 — CID 10051410

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cc(CN2CCOCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C27H32ClN5O2/c28-21-4-5-24-25(6-7-29-26(24)16-21)30-22-14-20(18-33-10-12-35-13-11-33)15-23(17-22)31-27(34)19-32-8-2-1-3-9-32/h4-7,14-17H,1-3,8-13,18-19H2,(H,29,30)(H,31,34)
InChIKeyUENVABGRVVRAKS-UHFFFAOYSA-N
MW494.04 g/mol
LogP4.89
Rot. Bonds7

About N-[3-[(7-chloroquinolin-4-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylacetamide

N-[3-[(7-chloroquinolin-4-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylacetamide (PubChem CID 10051410) has the molecular formula C27H32ClN5O2 and a molecular weight of 494.04 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylacetamide
PubChem CID10051410
Molecular FormulaC27H32ClN5O2
Molecular Weight494.04 g/mol
Exact Mass493.22
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cc(CN2CCOCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C27H32ClN5O2/c28-21-4-5-24-25(6-7-29-26(24)16-21)30-22-14-20(18-33-10-12-35-13-11-33)15-23(17-22)31-27(34)19-32-8-2-1-3-9-32/h4-7,14-17H,1-3,8-13,18-19H2,(H,29,30)(H,31,34)
InChIKeyUENVABGRVVRAKS-UHFFFAOYSA-N
XLogP4.89
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.04
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-N-(2-morpholinoethyl)quinolin-4-amine
CID 9926053
7-chloro-N-[2-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]ethyl]quinolin-4-amine
CID 10576348
7-chloro-N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]quinolin-4-amine
CID 10622386
N-[4-(3-Chloro-4-fluoro-phenylamino)-3-cyano-quinolin-6-yl]-2-morpholin-4-ylmethyl-acrylamide
CID 10885120
(E)-4-Morpholin-4-yl-but-2-enoic acid [4-(3-chloro-4-fluoro-phenylamino)-3-cyano-quinolin-6-yl]-amide
CID 10983483
1,4-bis{3-[N-(7-chloroquinolin-4-yl)amino]propyl}piperazine
CID 11670888
7-chloro-N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine
CID 25004136
7-chloro-N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine
CID 25004140
(R)-2-amino-3-(4-chlorophenyl)-1-(4-(quinolin-4-yl)piperazin-1-yl)propan-1-one
CID 52947056
4-(2-(4-(7-Chloro-4-quinolyl)piperazin-1-yl)acetyl)morpholine (5e)
CID 60592153
1-(2-(4-(7-Chloro-4-quinolyl)piperazin-1-yl)acetyl)pyrrolidine (2g)
CID 91937923
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9339996

Frequently Asked Questions

What is the IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylacetamide (CID 10051410) is N-[3-[(7-chloroquinolin-4-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1cc(CN2CCOCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is UENVABGRVVRAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN5O2/c28-21-4-5-24-25(6-7-29-26(24)16-21)30-22-14-20(18-33-10-12-35-13-11-33)15-23(17-22)31-27(34)19-32-8-2-1-3-9-32/h4-7,14-17H,1-3,8-13,18-19H2,(H,29,30)(H,31,34).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylacetamide?
N-[3-[(7-chloroquinolin-4-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 494.04 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-chloroquinolin-4-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 10051410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).