N-(6-hydroxyquinolin-4-yl)-4-(phosphanylamino)piperidine-1-carboxamide

C15H19N4O2P — CID 71170634

IUPACN-(6-hydroxyquinolin-4-yl)-4-(phosphanylamino)piperidine-1-carboxamide
SMILESO=C(Nc1ccnc2ccc(O)cc12)N1CCC(NP)CC1
InChIInChI=1S/C15H19N4O2P/c20-11-1-2-13-12(9-11)14(3-6-16-13)17-15(21)19-7-4-10(18-22)5-8-19/h1-3,6,9-10,18,20H,4-5,7-8,22H2,(H,16,17,21)
InChIKeyPCQFJKQLIHMOCQ-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.32
Rot. Bonds2

About N-(6-hydroxyquinolin-4-yl)-4-(phosphanylamino)piperidine-1-carboxamide

N-(6-hydroxyquinolin-4-yl)-4-(phosphanylamino)piperidine-1-carboxamide (PubChem CID 71170634) has the molecular formula C15H19N4O2P and a molecular weight of 318.32 g/mol. Its IUPAC name is N-(6-hydroxyquinolin-4-yl)-4-(phosphanylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxyquinolin-4-yl)-4-(phosphanylamino)piperidine-1-carboxamide
PubChem CID71170634
Molecular FormulaC15H19N4O2P
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC NameN-(6-hydroxyquinolin-4-yl)-4-(phosphanylamino)piperidine-1-carboxamide
SMILESO=C(Nc1ccnc2ccc(O)cc12)N1CCC(NP)CC1
InChIInChI=1S/C15H19N4O2P/c20-11-1-2-13-12(9-11)14(3-6-16-13)17-15(21)19-7-4-10(18-22)5-8-19/h1-3,6,9-10,18,20H,4-5,7-8,22H2,(H,16,17,21)
InChIKeyPCQFJKQLIHMOCQ-UHFFFAOYSA-N
XLogP2.32
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyquinolin-4-yl)-4-(phosphanylamino)piperidine-1-carboxamide?
The IUPAC name of N-(6-hydroxyquinolin-4-yl)-4-(phosphanylamino)piperidine-1-carboxamide (CID 71170634) is N-(6-hydroxyquinolin-4-yl)-4-(phosphanylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(6-hydroxyquinolin-4-yl)-4-(phosphanylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(6-hydroxyquinolin-4-yl)-4-(phosphanylamino)piperidine-1-carboxamide is O=C(Nc1ccnc2ccc(O)cc12)N1CCC(NP)CC1.
What is the InChIKey of N-(6-hydroxyquinolin-4-yl)-4-(phosphanylamino)piperidine-1-carboxamide?
The InChIKey is PCQFJKQLIHMOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N4O2P/c20-11-1-2-13-12(9-11)14(3-6-16-13)17-15(21)19-7-4-10(18-22)5-8-19/h1-3,6,9-10,18,20H,4-5,7-8,22H2,(H,16,17,21).
What are the key properties of N-(6-hydroxyquinolin-4-yl)-4-(phosphanylamino)piperidine-1-carboxamide?
N-(6-hydroxyquinolin-4-yl)-4-(phosphanylamino)piperidine-1-carboxamide has a molecular weight of 318.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyquinolin-4-yl)-4-(phosphanylamino)piperidine-1-carboxamide is sourced from PubChem (CID 71170634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).