N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide

C26H30N4O2 — CID 117089548

IUPACN-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(N2CCC(N3CCOCC3)CC2)nc2ccccc12
InChIInChI=1S/C26H30N4O2/c31-26(27-19-20-6-2-1-3-7-20)23-18-25(28-24-9-5-4-8-22(23)24)30-12-10-21(11-13-30)29-14-16-32-17-15-29/h1-9,18,21H,10-17,19H2,(H,27,31)
InChIKeyJHOFDTRNDTVPRD-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.47
Rot. Bonds5

About N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide

N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide (PubChem CID 117089548) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
PubChem CID117089548
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(N2CCC(N3CCOCC3)CC2)nc2ccccc12
InChIInChI=1S/C26H30N4O2/c31-26(27-19-20-6-2-1-3-7-20)23-18-25(28-24-9-5-4-8-22(23)24)30-12-10-21(11-13-30)29-14-16-32-17-15-29/h1-9,18,21H,10-17,19H2,(H,27,31)
InChIKeyJHOFDTRNDTVPRD-UHFFFAOYSA-N
XLogP3.47
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 117094553
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide
CID 117090539
N-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide
CID 156633574
N-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide
CID 46975815
N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide
CID 659672
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-morpholin-4-ylquinoline-4-carboxamide
CID 92614865
2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid
CID 97200460
2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
CID 46975816
[4-[[[2-[4-(2-oxoethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
CID 87609015
4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid
CID 86707366
N-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 91232917
2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide
CID 22146674

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide?
The IUPAC name of N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide (CID 117089548) is N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide is O=C(NCc1ccccc1)c1cc(N2CCC(N3CCOCC3)CC2)nc2ccccc12.
What is the InChIKey of N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide?
The InChIKey is JHOFDTRNDTVPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c31-26(27-19-20-6-2-1-3-7-20)23-18-25(28-24-9-5-4-8-22(23)24)30-12-10-21(11-13-30)29-14-16-32-17-15-29/h1-9,18,21H,10-17,19H2,(H,27,31).
What are the key properties of N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide?
N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 117089548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).