4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide

C28H27N3O2 — CID 18436112

IUPAC4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3)cc2)cc1
InChIInChI=1S/C28H27N3O2/c1-33-26-12-9-22(10-13-26)21-4-6-23(7-5-21)28(32)30-25-11-8-24-16-20(18-29-27(24)17-25)19-31-14-2-3-15-31/h4-13,16-18H,2-3,14-15,19H2,1H3,(H,30,32)
InChIKeySYWDDLDAYVZIIC-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.76
Rot. Bonds6

About 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide

4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide (PubChem CID 18436112) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
PubChem CID18436112
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC Name4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3)cc2)cc1
InChIInChI=1S/C28H27N3O2/c1-33-26-12-9-22(10-13-26)21-4-6-23(7-5-21)28(32)30-25-11-8-24-16-20(18-29-27(24)17-25)19-31-14-2-3-15-31/h4-13,16-18H,2-3,14-15,19H2,1H3,(H,30,32)
InChIKeySYWDDLDAYVZIIC-UHFFFAOYSA-N
XLogP5.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide (CID 18436112) is 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide is COc1ccc(-c2ccc(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide?
The InChIKey is SYWDDLDAYVZIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c1-33-26-12-9-22(10-13-26)21-4-6-23(7-5-21)28(32)30-25-11-8-24-16-20(18-29-27(24)17-25)19-31-14-2-3-15-31/h4-13,16-18H,2-3,14-15,19H2,1H3,(H,30,32).
What are the key properties of 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide?
4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide has a molecular weight of 437.54 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide is sourced from PubChem (CID 18436112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).