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

C28H32N4O2 — CID 155681514

IUPAC4-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]pyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2
InChIInChI=1S/C28H32N4O2/c1-20-11-14-30-18-25(20)28(33)31-26-6-2-4-22-5-3-17-32(27(22)26)19-21-7-9-23(10-8-21)34-24-12-15-29-16-13-24/h2,4,6-11,14,18,24,29H,3,5,12-13,15-17,19H2,1H3,(H,31,33)
InChIKeyAFSOEKUDDZIBHR-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.73
Rot. Bonds6

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

4-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]pyridine-3-carboxamide (PubChem CID 155681514) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 4-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]pyridine-3-carboxamide
PubChem CID155681514
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name4-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]pyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2
InChIInChI=1S/C28H32N4O2/c1-20-11-14-30-18-25(20)28(33)31-26-6-2-4-22-5-3-17-32(27(22)26)19-21-7-9-23(10-8-21)34-24-12-15-29-16-13-24/h2,4,6-11,14,18,24,29H,3,5,12-13,15-17,19H2,1H3,(H,31,33)
InChIKeyAFSOEKUDDZIBHR-UHFFFAOYSA-N
XLogP4.73
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]pyridine-3-carboxamide (CID 155681514) is 4-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]pyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2.
What is the InChIKey of 4-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]pyridine-3-carboxamide?
The InChIKey is AFSOEKUDDZIBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-20-11-14-30-18-25(20)28(33)31-26-6-2-4-22-5-3-17-32(27(22)26)19-21-7-9-23(10-8-21)34-24-12-15-29-16-13-24/h2,4,6-11,14,18,24,29H,3,5,12-13,15-17,19H2,1H3,(H,31,33).
What are the key properties of 4-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]pyridine-3-carboxamide?
4-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]pyridine-3-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155681514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).