7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine

C24H27ClN4O — CID 53250975

IUPAC7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine
SMILESClc1ccc2c(Nc3ccc(N4CCOCC4)c(CN4CCCC4)c3)ccnc2c1
InChIInChI=1S/C24H27ClN4O/c25-19-3-5-21-22(7-8-26-23(21)16-19)27-20-4-6-24(29-11-13-30-14-12-29)18(15-20)17-28-9-1-2-10-28/h3-8,15-16H,1-2,9-14,17H2,(H,26,27)
InChIKeyGDEHWVCCWMQERJ-UHFFFAOYSA-N
MW422.96 g/mol
LogP5.06
Rot. Bonds5

About 7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine

7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine (PubChem CID 53250975) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is 7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine
PubChem CID53250975
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC Name7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine
SMILESClc1ccc2c(Nc3ccc(N4CCOCC4)c(CN4CCCC4)c3)ccnc2c1
InChIInChI=1S/C24H27ClN4O/c25-19-3-5-21-22(7-8-26-23(21)16-19)27-20-4-6-24(29-11-13-30-14-12-29)18(15-20)17-28-9-1-2-10-28/h3-8,15-16H,1-2,9-14,17H2,(H,26,27)
InChIKeyGDEHWVCCWMQERJ-UHFFFAOYSA-N
XLogP5.06
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.96
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride
CID 67247174
7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine
CID 71717162
4-[(7-chloroquinolin-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)phenol;hydron;dichloride
CID 91981319
7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine
CID 24774969
4-[(7-chloroquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol;ethane;propane
CID 162520037
7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
CID 44572763
7-chloro-N-[4-chloro-3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
CID 44572182
7-chloro-N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]quinolin-4-amine
CID 7256421
4-[(7-iodoquinolin-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)phenol
CID 135359000
N-[3-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-4-fluorophenyl]-7-chloroquinolin-4-amine
CID 132525418
2-N-(4-chlorophenyl)-4-N-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-6-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 90666705
4-[[5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]methyl]-N,N-diethylpiperazine-1-carboxamide;dihydrochloride
CID 3061378

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine (CID 53250975) is 7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine is Clc1ccc2c(Nc3ccc(N4CCOCC4)c(CN4CCCC4)c3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine?
The InChIKey is GDEHWVCCWMQERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c25-19-3-5-21-22(7-8-26-23(21)16-19)27-20-4-6-24(29-11-13-30-14-12-29)18(15-20)17-28-9-1-2-10-28/h3-8,15-16H,1-2,9-14,17H2,(H,26,27).
What are the key properties of 7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine?
7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine has a molecular weight of 422.96 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine is sourced from PubChem (CID 53250975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).