7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine

C24H29ClN4O — CID 71717162

IUPAC7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine
SMILESCCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1N1CCOCC1
InChIInChI=1S/C24H29ClN4O/c1-3-28(4-2)17-18-15-20(6-8-24(18)29-11-13-30-14-12-29)27-22-9-10-26-23-16-19(25)5-7-21(22)23/h5-10,15-16H,3-4,11-14,17H2,1-2H3,(H,26,27)
InChIKeyJVLKBXBHWFAAHE-UHFFFAOYSA-N
MW424.98 g/mol
LogP5.31
Rot. Bonds7

About 7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine

7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine (PubChem CID 71717162) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is 7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine
PubChem CID71717162
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC Name7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine
SMILESCCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1N1CCOCC1
InChIInChI=1S/C24H29ClN4O/c1-3-28(4-2)17-18-15-20(6-8-24(18)29-11-13-30-14-12-29)27-22-9-10-26-23-16-19(25)5-7-21(22)23/h5-10,15-16H,3-4,11-14,17H2,1-2H3,(H,26,27)
InChIKeyJVLKBXBHWFAAHE-UHFFFAOYSA-N
XLogP5.31
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.98
LogP ≤ 55.31
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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine (CID 71717162) is 7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine is CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1N1CCOCC1.
What is the InChIKey of 7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine?
The InChIKey is JVLKBXBHWFAAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O/c1-3-28(4-2)17-18-15-20(6-8-24(18)29-11-13-30-14-12-29)27-22-9-10-26-23-16-19(25)5-7-21(22)23/h5-10,15-16H,3-4,11-14,17H2,1-2H3,(H,26,27).
What are the key properties of 7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine?
7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine has a molecular weight of 424.98 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine is sourced from PubChem (CID 71717162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).