4-(4-aminoquinolin-8-yl)-N-(3-propan-2-yloxypropyl)benzamide

C22H25N3O2 — CID 122568323

IUPAC4-(4-aminoquinolin-8-yl)-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1ccc(-c2cccc3c(N)ccnc23)cc1
InChIInChI=1S/C22H25N3O2/c1-15(2)27-14-4-12-25-22(26)17-9-7-16(8-10-17)18-5-3-6-19-20(23)11-13-24-21(18)19/h3,5-11,13,15H,4,12,14H2,1-2H3,(H2,23,24)(H,25,26)
InChIKeyMCRRLDWBLDRPTH-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.03
Rot. Bonds7

About 4-(4-aminoquinolin-8-yl)-N-(3-propan-2-yloxypropyl)benzamide

4-(4-aminoquinolin-8-yl)-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 122568323) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(4-aminoquinolin-8-yl)-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name4-(4-aminoquinolin-8-yl)-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID122568323
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-(4-aminoquinolin-8-yl)-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1ccc(-c2cccc3c(N)ccnc23)cc1
InChIInChI=1S/C22H25N3O2/c1-15(2)27-14-4-12-25-22(26)17-9-7-16(8-10-17)18-5-3-6-19-20(23)11-13-24-21(18)19/h3,5-11,13,15H,4,12,14H2,1-2H3,(H2,23,24)(H,25,26)
InChIKeyMCRRLDWBLDRPTH-UHFFFAOYSA-N
XLogP4.03
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487562
2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015103
4-(4-aminoquinolin-8-yl)-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 122556634
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 78985192
4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide
CID 93216664
4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 4825822
3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 82070538
3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 54385024
2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 114137448
4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 118787053

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminoquinolin-8-yl)-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 4-(4-aminoquinolin-8-yl)-N-(3-propan-2-yloxypropyl)benzamide (CID 122568323) is 4-(4-aminoquinolin-8-yl)-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 4-(4-aminoquinolin-8-yl)-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 4-(4-aminoquinolin-8-yl)-N-(3-propan-2-yloxypropyl)benzamide is CC(C)OCCCNC(=O)c1ccc(-c2cccc3c(N)ccnc23)cc1.
What is the InChIKey of 4-(4-aminoquinolin-8-yl)-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is MCRRLDWBLDRPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(2)27-14-4-12-25-22(26)17-9-7-16(8-10-17)18-5-3-6-19-20(23)11-13-24-21(18)19/h3,5-11,13,15H,4,12,14H2,1-2H3,(H2,23,24)(H,25,26).
What are the key properties of 4-(4-aminoquinolin-8-yl)-N-(3-propan-2-yloxypropyl)benzamide?
4-(4-aminoquinolin-8-yl)-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminoquinolin-8-yl)-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 122568323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).