N-[5-(diethylamino)pentan-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide

C30H41N5O2 — CID 46091077

IUPACN-[5-(diethylamino)pentan-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc12
InChIInChI=1S/C30H41N5O2/c1-5-33(6-2)17-9-10-23(3)31-30(36)27-22-29(32-28-12-8-7-11-26(27)28)35-20-18-34(19-21-35)24-13-15-25(37-4)16-14-24/h7-8,11-16,22-23H,5-6,9-10,17-21H2,1-4H3,(H,31,36)
InChIKeyNPXTWGOXYCFYPI-UHFFFAOYSA-N
MW503.69 g/mol
LogP4.81
Rot. Bonds11

About N-[5-(diethylamino)pentan-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide

N-[5-(diethylamino)pentan-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide (PubChem CID 46091077) has the molecular formula C30H41N5O2 and a molecular weight of 503.69 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide
PubChem CID46091077
Molecular FormulaC30H41N5O2
Molecular Weight503.69 g/mol
Exact Mass503.33
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc12
InChIInChI=1S/C30H41N5O2/c1-5-33(6-2)17-9-10-23(3)31-30(36)27-22-29(32-28-12-8-7-11-26(27)28)35-20-18-34(19-21-35)24-13-15-25(37-4)16-14-24/h7-8,11-16,22-23H,5-6,9-10,17-21H2,1-4H3,(H,31,36)
InChIKeyNPXTWGOXYCFYPI-UHFFFAOYSA-N
XLogP4.81
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.69
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide
CID 98401545
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide
CID 46090934
3-[[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-[5-(diethylamino)pentan-2-yl]benzamide
CID 3352446
2-(4-benzylpiperazin-1-yl)-N-[3-(diethylamino)propyl]quinoline-4-carboxamide
CID 46091039
2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
CID 46975816
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
CID 46091052
N-(4-methylpentan-2-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide
CID 46090822
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632
1-N,1-N-diethyl-4-N-(6-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid
CID 22210394
N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide
CID 98638684
6-[(4-methoxybenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50784035
2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutanoylamino)quinoline-4-carboxylic acid;trihydrochloride
CID 146058200

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide (CID 46091077) is N-[5-(diethylamino)pentan-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide is CCN(CC)CCCC(C)NC(=O)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc12.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide?
The InChIKey is NPXTWGOXYCFYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O2/c1-5-33(6-2)17-9-10-23(3)31-30(36)27-22-29(32-28-12-8-7-11-26(27)28)35-20-18-34(19-21-35)24-13-15-25(37-4)16-14-24/h7-8,11-16,22-23H,5-6,9-10,17-21H2,1-4H3,(H,31,36).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide has a molecular weight of 503.69 g/mol, XLogP of 4.81, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide is sourced from PubChem (CID 46091077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).