N-(3-aminopropyl)-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide

C27H35N5O — CID 146475702

IUPACN-(3-aminopropyl)-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide
SMILESNCCCNC(=O)c1ccc(-c2cc(NCCCN3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C27H35N5O/c28-14-6-15-30-27(33)22-12-10-21(11-13-22)25-20-26(23-8-2-3-9-24(23)31-25)29-16-7-19-32-17-4-1-5-18-32/h2-3,8-13,20H,1,4-7,14-19,28H2,(H,29,31)(H,30,33)
InChIKeyLCMWNPHZDQHGTI-UHFFFAOYSA-N
MW445.61 g/mol
LogP4.27
Rot. Bonds10

About N-(3-aminopropyl)-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide

N-(3-aminopropyl)-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide (PubChem CID 146475702) has the molecular formula C27H35N5O and a molecular weight of 445.61 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide
PubChem CID146475702
Molecular FormulaC27H35N5O
Molecular Weight445.61 g/mol
Exact Mass445.28
IUPAC NameN-(3-aminopropyl)-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide
SMILESNCCCNC(=O)c1ccc(-c2cc(NCCCN3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C27H35N5O/c28-14-6-15-30-27(33)22-12-10-21(11-13-22)25-20-26(23-8-2-3-9-24(23)31-25)29-16-7-19-32-17-4-1-5-18-32/h2-3,8-13,20H,1,4-7,14-19,28H2,(H,29,31)(H,30,33)
InChIKeyLCMWNPHZDQHGTI-UHFFFAOYSA-N
XLogP4.27
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 73050865
4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(2-pyridin-4-ylethyl)benzamide
CID 135372873
4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 135371489
N-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide
CID 135373155
2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride
CID 45050904
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
N-[3-[(2-naphthalen-2-ylquinolin-4-yl)amino]propyl]-N'-[3-[4-[3-[[4-[3-[(2-naphthalen-2-ylquinolin-4-yl)amino]propylamino]-4-oxobutanoyl]amino]propyl]piperazin-1-yl]propyl]butanediamide
CID 18403985
2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide
CID 45051431
2-methyl-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10859009
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
4-chloro-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide
CID 139188850
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide?
The IUPAC name of N-(3-aminopropyl)-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide (CID 146475702) is N-(3-aminopropyl)-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide.
What is the SMILES notation for N-(3-aminopropyl)-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide?
The canonical SMILES for N-(3-aminopropyl)-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide is NCCCNC(=O)c1ccc(-c2cc(NCCCN3CCCCC3)c3ccccc3n2)cc1.
What is the InChIKey of N-(3-aminopropyl)-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide?
The InChIKey is LCMWNPHZDQHGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O/c28-14-6-15-30-27(33)22-12-10-21(11-13-22)25-20-26(23-8-2-3-9-24(23)31-25)29-16-7-19-32-17-4-1-5-18-32/h2-3,8-13,20H,1,4-7,14-19,28H2,(H,29,31)(H,30,33).
What are the key properties of N-(3-aminopropyl)-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide?
N-(3-aminopropyl)-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide has a molecular weight of 445.61 g/mol, XLogP of 4.27, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide is sourced from PubChem (CID 146475702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).