N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[4-methyl-5-[2-(methylamino)ethoxy]-2-pyridinyl]quinoline-4-carboxamide

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[4-methyl-5-[2-(methylamino)ethoxy]-2-pyridinyl]quinoline-4-carboxamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[4-methyl-5-[2-(methylamino)ethoxy]-2-pyridinyl]quinoline-4-carboxamide (PubChem CID 167060128) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[4-methyl-5-[2-(methylamino)ethoxy]-2-pyridinyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name	N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[4-methyl-5-[2-(methylamino)ethoxy]-2-pyridinyl]quinoline-4-carboxamide
PubChem CID	167060128
Molecular Formula	C27H32N6O3
Molecular Weight	488.59 g/mol
Exact Mass	488.25
IUPAC Name	N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[4-methyl-5-[2-(methylamino)ethoxy]-2-pyridinyl]quinoline-4-carboxamide
SMILES	CCn1ncc(CN(C)C(=O)c2cc(-c3cc(C)c(OCCNC)cn3)nc3ccc(O)cc23)c1C
InChI	InChI=1S/C27H32N6O3/c1-6-33-18(3)19(14-30-33)16-32(5)27(35)22-13-25(31-23-8-7-20(34)12-21(22)23)24-11-17(2)26(15-29-24)36-10-9-28-4/h7-8,11-15,28,34H,6,9-10,16H2,1-5H3
InChIKey	URWUKWDKHZUYTL-UHFFFAOYSA-N
XLogP	3.71
TPSA	105.40 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	9
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[4-methyl-5-[2-(methylamino)ethoxy]-2-pyridinyl]quinoline-4-carboxamide?

The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[4-methyl-5-[2-(methylamino)ethoxy]-2-pyridinyl]quinoline-4-carboxamide (CID 167060128) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[4-methyl-5-[2-(methylamino)ethoxy]-2-pyridinyl]quinoline-4-carboxamide.

What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[4-methyl-5-[2-(methylamino)ethoxy]-2-pyridinyl]quinoline-4-carboxamide?

The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[4-methyl-5-[2-(methylamino)ethoxy]-2-pyridinyl]quinoline-4-carboxamide is CCn1ncc(CN(C)C(=O)c2cc(-c3cc(C)c(OCCNC)cn3)nc3ccc(O)cc23)c1C.

What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[4-methyl-5-[2-(methylamino)ethoxy]-2-pyridinyl]quinoline-4-carboxamide?

The InChIKey is URWUKWDKHZUYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-6-33-18(3)19(14-30-33)16-32(5)27(35)22-13-25(31-23-8-7-20(34)12-21(22)23)24-11-17(2)26(15-29-24)36-10-9-28-4/h7-8,11-15,28,34H,6,9-10,16H2,1-5H3.

What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[4-methyl-5-[2-(methylamino)ethoxy]-2-pyridinyl]quinoline-4-carboxamide?

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[4-methyl-5-[2-(methylamino)ethoxy]-2-pyridinyl]quinoline-4-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[4-methyl-5-[2-(methylamino)ethoxy]-2-pyridinyl]quinoline-4-carboxamide is sourced from PubChem (CID 167060128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).