N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methylpiperazin-1-yl)quinoline-2-carboxamide

C26H33N7O2 — CID 118646915

IUPACN-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methylpiperazin-1-yl)quinoline-2-carboxamide
SMILESCC1CN(c2ccncc2NC(=O)c2ccc3ccc(N4CCN(C)CC4)cc3n2)CC(N)C1O
InChIInChI=1S/C26H33N7O2/c1-17-15-33(16-20(27)25(17)34)24-7-8-28-14-23(24)30-26(35)21-6-4-18-3-5-19(13-22(18)29-21)32-11-9-31(2)10-12-32/h3-8,13-14,17,20,25,34H,9-12,15-16,27H2,1-2H3,(H,30,35)
InChIKeyUECVFMBXOWMGOD-UHFFFAOYSA-N
MW475.60 g/mol
LogP1.78
Rot. Bonds4

About N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methylpiperazin-1-yl)quinoline-2-carboxamide

N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methylpiperazin-1-yl)quinoline-2-carboxamide (PubChem CID 118646915) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methylpiperazin-1-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methylpiperazin-1-yl)quinoline-2-carboxamide
PubChem CID118646915
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC NameN-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methylpiperazin-1-yl)quinoline-2-carboxamide
SMILESCC1CN(c2ccncc2NC(=O)c2ccc3ccc(N4CCN(C)CC4)cc3n2)CC(N)C1O
InChIInChI=1S/C26H33N7O2/c1-17-15-33(16-20(27)25(17)34)24-7-8-28-14-23(24)30-26(35)21-6-4-18-3-5-19(13-22(18)29-21)32-11-9-31(2)10-12-32/h3-8,13-14,17,20,25,34H,9-12,15-16,27H2,1-2H3,(H,30,35)
InChIKeyUECVFMBXOWMGOD-UHFFFAOYSA-N
XLogP1.78
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methylpiperazin-1-yl)quinoline-2-carboxamide?
The IUPAC name of N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methylpiperazin-1-yl)quinoline-2-carboxamide (CID 118646915) is N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methylpiperazin-1-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methylpiperazin-1-yl)quinoline-2-carboxamide?
The canonical SMILES for N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methylpiperazin-1-yl)quinoline-2-carboxamide is CC1CN(c2ccncc2NC(=O)c2ccc3ccc(N4CCN(C)CC4)cc3n2)CC(N)C1O.
What is the InChIKey of N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methylpiperazin-1-yl)quinoline-2-carboxamide?
The InChIKey is UECVFMBXOWMGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-17-15-33(16-20(27)25(17)34)24-7-8-28-14-23(24)30-26(35)21-6-4-18-3-5-19(13-22(18)29-21)32-11-9-31(2)10-12-32/h3-8,13-14,17,20,25,34H,9-12,15-16,27H2,1-2H3,(H,30,35).
What are the key properties of N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methylpiperazin-1-yl)quinoline-2-carboxamide?
N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methylpiperazin-1-yl)quinoline-2-carboxamide has a molecular weight of 475.60 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-7-(4-methylpiperazin-1-yl)quinoline-2-carboxamide is sourced from PubChem (CID 118646915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).