1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indazole-3-carboxamide

C30H33N5O2 — CID 162660232

IUPAC1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)c2ccccc21
InChIInChI=1S/C30H33N5O2/c1-34-27-10-3-2-8-25(27)28(33-34)30(36)32-26-9-4-6-22-7-5-19-35(29(22)26)20-21-11-13-23(14-12-21)37-24-15-17-31-18-16-24/h2-4,6,8-14,24,31H,5,7,15-20H2,1H3,(H,32,36)
InChIKeyRQNWPSZZIGGXLJ-UHFFFAOYSA-N
MW495.63 g/mol
LogP4.91
Rot. Bonds6

About 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indazole-3-carboxamide

1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indazole-3-carboxamide (PubChem CID 162660232) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indazole-3-carboxamide
PubChem CID162660232
Molecular FormulaC30H33N5O2
Molecular Weight495.63 g/mol
Exact Mass495.26
IUPAC Name1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)c2ccccc21
InChIInChI=1S/C30H33N5O2/c1-34-27-10-3-2-8-25(27)28(33-34)30(36)32-26-9-4-6-22-7-5-19-35(29(22)26)20-21-11-13-23(14-12-21)37-24-15-17-31-18-16-24/h2-4,6,8-14,24,31H,5,7,15-20H2,1H3,(H,32,36)
InChIKeyRQNWPSZZIGGXLJ-UHFFFAOYSA-N
XLogP4.91
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indazole-3-carboxamide (CID 162660232) is 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indazole-3-carboxamide is Cn1nc(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)c2ccccc21.
What is the InChIKey of 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indazole-3-carboxamide?
The InChIKey is RQNWPSZZIGGXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2/c1-34-27-10-3-2-8-25(27)28(33-34)30(36)32-26-9-4-6-22-7-5-19-35(29(22)26)20-21-11-13-23(14-12-21)37-24-15-17-31-18-16-24/h2-4,6,8-14,24,31H,5,7,15-20H2,1H3,(H,32,36).
What are the key properties of 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indazole-3-carboxamide?
1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indazole-3-carboxamide has a molecular weight of 495.63 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indazole-3-carboxamide is sourced from PubChem (CID 162660232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).