N-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide

C15H16N4O3 — CID 133441769

IUPACN-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide
SMILESO=C(CNc1ccc([N+](=O)[O-])c2cccnc12)NCC1CC1
InChIInChI=1S/C15H16N4O3/c20-14(18-8-10-3-4-10)9-17-12-5-6-13(19(21)22)11-2-1-7-16-15(11)12/h1-2,5-7,10,17H,3-4,8-9H2,(H,18,20)
InChIKeyCGPYMSSXNGSOPY-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.08
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide

N-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide (PubChem CID 133441769) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide
PubChem CID133441769
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide
SMILESO=C(CNc1ccc([N+](=O)[O-])c2cccnc12)NCC1CC1
InChIInChI=1S/C15H16N4O3/c20-14(18-8-10-3-4-10)9-17-12-5-6-13(19(21)22)11-2-1-7-16-15(11)12/h1-2,5-7,10,17H,3-4,8-9H2,(H,18,20)
InChIKeyCGPYMSSXNGSOPY-UHFFFAOYSA-N
XLogP2.08
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine
CID 62350492
N-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 133441803
2-[(5-nitroquinolin-8-yl)amino]-N-pyridin-2-ylacetamide
CID 133443534
N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
CID 115689907
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
N-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide
CID 133441931
N-(cyclohexylmethyl)-8-nitroquinolin-5-amine
CID 43386314
N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-nitroanilino]acetamide
CID 133441776
N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine
CID 31539522
2-[(5-nitroquinolin-8-yl)amino]propane-1,3-diol
CID 65314483
N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
CID 62664848
N-methylsulfonyl-3-[(5-nitroquinolin-8-yl)amino]propanamide
CID 91653158

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide (CID 133441769) is N-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide is O=C(CNc1ccc([N+](=O)[O-])c2cccnc12)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide?
The InChIKey is CGPYMSSXNGSOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-14(18-8-10-3-4-10)9-17-12-5-6-13(19(21)22)11-2-1-7-16-15(11)12/h1-2,5-7,10,17H,3-4,8-9H2,(H,18,20).
What are the key properties of N-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide?
N-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide has a molecular weight of 300.32 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(5-nitroquinolin-8-yl)amino]acetamide is sourced from PubChem (CID 133441769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).