2-methyl-N-[[5-methyl-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]propanamide

C26H29N5O2 — CID 59484079

IUPAC2-methyl-N-[[5-methyl-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]propanamide
SMILESCc1cc(-c2ccnn2C)c2cccc(OCc3c(C)cncc3CNC(=O)C(C)C)c2n1
InChIInChI=1S/C26H29N5O2/c1-16(2)26(32)28-14-19-13-27-12-17(3)22(19)15-33-24-8-6-7-20-21(11-18(4)30-25(20)24)23-9-10-29-31(23)5/h6-13,16H,14-15H2,1-5H3,(H,28,32)
InChIKeyFPYHIWHWCFQHEC-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.50
Rot. Bonds7

About 2-methyl-N-[[5-methyl-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]propanamide

2-methyl-N-[[5-methyl-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]propanamide (PubChem CID 59484079) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]propanamide
PubChem CID59484079
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name2-methyl-N-[[5-methyl-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]propanamide
SMILESCc1cc(-c2ccnn2C)c2cccc(OCc3c(C)cncc3CNC(=O)C(C)C)c2n1
InChIInChI=1S/C26H29N5O2/c1-16(2)26(32)28-14-19-13-27-12-17(3)22(19)15-33-24-8-6-7-20-21(11-18(4)30-25(20)24)23-9-10-29-31(23)5/h6-13,16H,14-15H2,1-5H3,(H,28,32)
InChIKeyFPYHIWHWCFQHEC-UHFFFAOYSA-N
XLogP4.50
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[5-methyl-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]propanamide (CID 59484079) is 2-methyl-N-[[5-methyl-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[5-methyl-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[5-methyl-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]propanamide is Cc1cc(-c2ccnn2C)c2cccc(OCc3c(C)cncc3CNC(=O)C(C)C)c2n1.
What is the InChIKey of 2-methyl-N-[[5-methyl-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]propanamide?
The InChIKey is FPYHIWHWCFQHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-16(2)26(32)28-14-19-13-27-12-17(3)22(19)15-33-24-8-6-7-20-21(11-18(4)30-25(20)24)23-9-10-29-31(23)5/h6-13,16H,14-15H2,1-5H3,(H,28,32).
What are the key properties of 2-methyl-N-[[5-methyl-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]propanamide?
2-methyl-N-[[5-methyl-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]propanamide has a molecular weight of 443.55 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 59484079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).