N-(3-aminopropyl)-6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N-methylnaphthalene-2-carboxamide

C27H27N5O — CID 158172370

IUPACN-(3-aminopropyl)-6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N-methylnaphthalene-2-carboxamide
SMILESCN(CCCN)C(=O)c1ccc2cc(CCNc3ccnc4ccc(C#N)cc34)ccc2c1
InChIInChI=1S/C27H27N5O/c1-32(14-2-11-28)27(33)23-7-6-21-15-19(3-5-22(21)17-23)9-12-30-26-10-13-31-25-8-4-20(18-29)16-24(25)26/h3-8,10,13,15-17H,2,9,11-12,14,28H2,1H3,(H,30,31)
InChIKeyFXPMUAXYMIDCCK-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.34
Rot. Bonds8

About N-(3-aminopropyl)-6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N-methylnaphthalene-2-carboxamide

N-(3-aminopropyl)-6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N-methylnaphthalene-2-carboxamide (PubChem CID 158172370) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is N-(3-aminopropyl)-6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N-methylnaphthalene-2-carboxamide
PubChem CID158172370
Molecular FormulaC27H27N5O
Molecular Weight437.55 g/mol
Exact Mass437.22
IUPAC NameN-(3-aminopropyl)-6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N-methylnaphthalene-2-carboxamide
SMILESCN(CCCN)C(=O)c1ccc2cc(CCNc3ccnc4ccc(C#N)cc34)ccc2c1
InChIInChI=1S/C27H27N5O/c1-32(14-2-11-28)27(33)23-7-6-21-15-19(3-5-22(21)17-23)9-12-30-26-10-13-31-25-8-4-20(18-29)16-24(25)26/h3-8,10,13,15-17H,2,9,11-12,14,28H2,1H3,(H,30,31)
InChIKeyFXPMUAXYMIDCCK-UHFFFAOYSA-N
XLogP4.34
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N-methylnaphthalene-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N-methylnaphthalene-2-carboxamide (CID 158172370) is N-(3-aminopropyl)-6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N-methylnaphthalene-2-carboxamide is CN(CCCN)C(=O)c1ccc2cc(CCNc3ccnc4ccc(C#N)cc34)ccc2c1.
What is the InChIKey of N-(3-aminopropyl)-6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N-methylnaphthalene-2-carboxamide?
The InChIKey is FXPMUAXYMIDCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O/c1-32(14-2-11-28)27(33)23-7-6-21-15-19(3-5-22(21)17-23)9-12-30-26-10-13-31-25-8-4-20(18-29)16-24(25)26/h3-8,10,13,15-17H,2,9,11-12,14,28H2,1H3,(H,30,31).
What are the key properties of N-(3-aminopropyl)-6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N-methylnaphthalene-2-carboxamide?
N-(3-aminopropyl)-6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N-methylnaphthalene-2-carboxamide has a molecular weight of 437.55 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 158172370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).