3-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C33H35N3O2 — CID 56594243

IUPAC3-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCn1cc(-c2cccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)c2)c(=O)c2ccccc21
InChIInChI=1S/C33H35N3O2/c1-35-22-29(32(37)28-12-3-4-14-31(28)35)25-9-7-11-26(20-25)33(38)34-30-13-8-10-24-19-23(15-16-27(24)30)21-36-17-5-2-6-18-36/h3-4,7,9,11-12,14-16,19-20,22,30H,2,5-6,8,10,13,17-18,21H2,1H3,(H,34,38)/t30-/m1/s1
InChIKeyMXYGHZCYIGWVQN-SSEXGKCCSA-N
MW505.66 g/mol
LogP6.00
Rot. Bonds5

About 3-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

3-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 56594243) has the molecular formula C33H35N3O2 and a molecular weight of 505.66 g/mol. Its IUPAC name is 3-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID56594243
Molecular FormulaC33H35N3O2
Molecular Weight505.66 g/mol
Exact Mass505.27
IUPAC Name3-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCn1cc(-c2cccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)c2)c(=O)c2ccccc21
InChIInChI=1S/C33H35N3O2/c1-35-22-29(32(37)28-12-3-4-14-31(28)35)25-9-7-11-26(20-25)33(38)34-30-13-8-10-24-19-23(15-16-27(24)30)21-36-17-5-2-6-18-36/h3-4,7,9,11-12,14-16,19-20,22,30H,2,5-6,8,10,13,17-18,21H2,1H3,(H,34,38)/t30-/m1/s1
InChIKeyMXYGHZCYIGWVQN-SSEXGKCCSA-N
XLogP6.00
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.66
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 3-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 56594243) is 3-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 3-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 3-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is Cn1cc(-c2cccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)c2)c(=O)c2ccccc21.
What is the InChIKey of 3-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is MXYGHZCYIGWVQN-SSEXGKCCSA-N. The full InChI is InChI=1S/C33H35N3O2/c1-35-22-29(32(37)28-12-3-4-14-31(28)35)25-9-7-11-26(20-25)33(38)34-30-13-8-10-24-19-23(15-16-27(24)30)21-36-17-5-2-6-18-36/h3-4,7,9,11-12,14-16,19-20,22,30H,2,5-6,8,10,13,17-18,21H2,1H3,(H,34,38)/t30-/m1/s1.
What are the key properties of 3-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
3-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 505.66 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 56594243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).