N-[[4-hydroxy-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-N,6-dimethyl-5-(methylamino)quinoline-8-carboxamide

C25H36N4O4 — CID 144714369

IUPACN-[[4-hydroxy-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-N,6-dimethyl-5-(methylamino)quinoline-8-carboxamide
SMILESCNc1c(C)cc(C(=O)N(C)CC2(O)CCN(CC3(O)CCOCC3)CC2)c2ncccc12
InChIInChI=1S/C25H36N4O4/c1-18-15-20(22-19(21(18)26-2)5-4-10-27-22)23(30)28(3)16-24(31)6-11-29(12-7-24)17-25(32)8-13-33-14-9-25/h4-5,10,15,26,31-32H,6-9,11-14,16-17H2,1-3H3
InChIKeyFWKQDLWBUHCVJX-UHFFFAOYSA-N
MW456.59 g/mol
LogP2.03
Rot. Bonds6

About N-[[4-hydroxy-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-N,6-dimethyl-5-(methylamino)quinoline-8-carboxamide

N-[[4-hydroxy-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-N,6-dimethyl-5-(methylamino)quinoline-8-carboxamide (PubChem CID 144714369) has the molecular formula C25H36N4O4 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[[4-hydroxy-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-N,6-dimethyl-5-(methylamino)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[[4-hydroxy-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-N,6-dimethyl-5-(methylamino)quinoline-8-carboxamide
PubChem CID144714369
Molecular FormulaC25H36N4O4
Molecular Weight456.59 g/mol
Exact Mass456.27
IUPAC NameN-[[4-hydroxy-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-N,6-dimethyl-5-(methylamino)quinoline-8-carboxamide
SMILESCNc1c(C)cc(C(=O)N(C)CC2(O)CCN(CC3(O)CCOCC3)CC2)c2ncccc12
InChIInChI=1S/C25H36N4O4/c1-18-15-20(22-19(21(18)26-2)5-4-10-27-22)23(30)28(3)16-24(31)6-11-29(12-7-24)17-25(32)8-13-33-14-9-25/h4-5,10,15,26,31-32H,6-9,11-14,16-17H2,1-3H3
InChIKeyFWKQDLWBUHCVJX-UHFFFAOYSA-N
XLogP2.03
TPSA98.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-hydroxy-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-N,6-dimethyl-5-(methylamino)quinoline-8-carboxamide?
The IUPAC name of N-[[4-hydroxy-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-N,6-dimethyl-5-(methylamino)quinoline-8-carboxamide (CID 144714369) is N-[[4-hydroxy-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-N,6-dimethyl-5-(methylamino)quinoline-8-carboxamide.
What is the SMILES notation for N-[[4-hydroxy-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-N,6-dimethyl-5-(methylamino)quinoline-8-carboxamide?
The canonical SMILES for N-[[4-hydroxy-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-N,6-dimethyl-5-(methylamino)quinoline-8-carboxamide is CNc1c(C)cc(C(=O)N(C)CC2(O)CCN(CC3(O)CCOCC3)CC2)c2ncccc12.
What is the InChIKey of N-[[4-hydroxy-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-N,6-dimethyl-5-(methylamino)quinoline-8-carboxamide?
The InChIKey is FWKQDLWBUHCVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O4/c1-18-15-20(22-19(21(18)26-2)5-4-10-27-22)23(30)28(3)16-24(31)6-11-29(12-7-24)17-25(32)8-13-33-14-9-25/h4-5,10,15,26,31-32H,6-9,11-14,16-17H2,1-3H3.
What are the key properties of N-[[4-hydroxy-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-N,6-dimethyl-5-(methylamino)quinoline-8-carboxamide?
N-[[4-hydroxy-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-N,6-dimethyl-5-(methylamino)quinoline-8-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-hydroxy-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-N,6-dimethyl-5-(methylamino)quinoline-8-carboxamide is sourced from PubChem (CID 144714369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).