7-(diethylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-3-carboxamide

C26H31N5O2 — CID 169320062

IUPAC7-(diethylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cnc2c1
InChIInChI=1S/C26H31N5O2/c1-4-30(5-2)23-11-8-20-16-21(18-27-24(20)17-23)25(32)28-22-9-6-19(7-10-22)26(33)31-14-12-29(3)13-15-31/h6-11,16-18H,4-5,12-15H2,1-3H3,(H,28,32)
InChIKeyXEXPAHOJSLRDJC-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.72
Rot. Bonds6

About 7-(diethylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-3-carboxamide

7-(diethylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-3-carboxamide (PubChem CID 169320062) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 7-(diethylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(diethylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-3-carboxamide
PubChem CID169320062
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name7-(diethylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cnc2c1
InChIInChI=1S/C26H31N5O2/c1-4-30(5-2)23-11-8-20-16-21(18-27-24(20)17-23)25(32)28-22-9-6-19(7-10-22)26(33)31-14-12-29(3)13-15-31/h6-11,16-18H,4-5,12-15H2,1-3H3,(H,28,32)
InChIKeyXEXPAHOJSLRDJC-UHFFFAOYSA-N
XLogP3.72
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(diethylamino)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide
CID 169320058
5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109107727
(7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 110489748
N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide
CID 63973943
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 30898812
N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084386
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 94646302
3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94646312
methyl 4-[[5-(4-methylpiperazine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109104507
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109151369
N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053606

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-3-carboxamide?
The IUPAC name of 7-(diethylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-3-carboxamide (CID 169320062) is 7-(diethylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 7-(diethylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 7-(diethylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-3-carboxamide is CCN(CC)c1ccc2cc(C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cnc2c1.
What is the InChIKey of 7-(diethylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-3-carboxamide?
The InChIKey is XEXPAHOJSLRDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-4-30(5-2)23-11-8-20-16-21(18-27-24(20)17-23)25(32)28-22-9-6-19(7-10-22)26(33)31-14-12-29(3)13-15-31/h6-11,16-18H,4-5,12-15H2,1-3H3,(H,28,32).
What are the key properties of 7-(diethylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-3-carboxamide?
7-(diethylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-3-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 169320062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).