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

C33H35N3O2 — CID 56594244

IUPAC4-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCn1cc(-c2ccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)cc2)c(=O)c2ccccc21
InChIInChI=1S/C33H35N3O2/c1-35-22-29(32(37)28-9-3-4-11-31(28)35)24-13-15-25(16-14-24)33(38)34-30-10-7-8-26-20-23(12-17-27(26)30)21-36-18-5-2-6-19-36/h3-4,9,11-17,20,22,30H,2,5-8,10,18-19,21H2,1H3,(H,34,38)/t30-/m1/s1
InChIKeyCQWDDWZXIZCQBL-SSEXGKCCSA-N
MW505.66 g/mol
LogP6.00
Rot. Bonds5

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

4-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 56594244) has the molecular formula C33H35N3O2 and a molecular weight of 505.66 g/mol. Its IUPAC name is 4-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name4-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID56594244
Molecular FormulaC33H35N3O2
Molecular Weight505.66 g/mol
Exact Mass505.27
IUPAC Name4-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCn1cc(-c2ccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)cc2)c(=O)c2ccccc21
InChIInChI=1S/C33H35N3O2/c1-35-22-29(32(37)28-9-3-4-11-31(28)35)24-13-15-25(16-14-24)33(38)34-30-10-7-8-26-20-23(12-17-27(26)30)21-36-18-5-2-6-19-36/h3-4,9,11-17,20,22,30H,2,5-8,10,18-19,21H2,1H3,(H,34,38)/t30-/m1/s1
InChIKeyCQWDDWZXIZCQBL-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 4-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 4-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 56594244) is 4-(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 4-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 4-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is Cn1cc(-c2ccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)cc2)c(=O)c2ccccc21.
What is the InChIKey of 4-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is CQWDDWZXIZCQBL-SSEXGKCCSA-N. The full InChI is InChI=1S/C33H35N3O2/c1-35-22-29(32(37)28-9-3-4-11-31(28)35)24-13-15-25(16-14-24)33(38)34-30-10-7-8-26-20-23(12-17-27(26)30)21-36-18-5-2-6-19-36/h3-4,9,11-17,20,22,30H,2,5-8,10,18-19,21H2,1H3,(H,34,38)/t30-/m1/s1.
What are the key properties of 4-(1-methyl-4-oxoquinolin-3-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
4-(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 4-(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 56594244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).