N-[2-chloro-4-[(6-nitroquinazolin-2-yl)amino]phenyl]-2-(dipropylamino)acetamide

C22H25ClN6O3 — CID 141334727

IUPACN-[2-chloro-4-[(6-nitroquinazolin-2-yl)amino]phenyl]-2-(dipropylamino)acetamide
SMILESCCCN(CCC)CC(=O)Nc1ccc(Nc2ncc3cc([N+](=O)[O-])ccc3n2)cc1Cl
InChIInChI=1S/C22H25ClN6O3/c1-3-9-28(10-4-2)14-21(30)26-20-7-5-16(12-18(20)23)25-22-24-13-15-11-17(29(31)32)6-8-19(15)27-22/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,26,30)(H,24,25,27)
InChIKeyIODSEOWGFGRSES-UHFFFAOYSA-N
MW456.93 g/mol
LogP5.00
Rot. Bonds10

About N-[2-chloro-4-[(6-nitroquinazolin-2-yl)amino]phenyl]-2-(dipropylamino)acetamide

N-[2-chloro-4-[(6-nitroquinazolin-2-yl)amino]phenyl]-2-(dipropylamino)acetamide (PubChem CID 141334727) has the molecular formula C22H25ClN6O3 and a molecular weight of 456.93 g/mol. Its IUPAC name is N-[2-chloro-4-[(6-nitroquinazolin-2-yl)amino]phenyl]-2-(dipropylamino)acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(6-nitroquinazolin-2-yl)amino]phenyl]-2-(dipropylamino)acetamide
PubChem CID141334727
Molecular FormulaC22H25ClN6O3
Molecular Weight456.93 g/mol
Exact Mass456.17
IUPAC NameN-[2-chloro-4-[(6-nitroquinazolin-2-yl)amino]phenyl]-2-(dipropylamino)acetamide
SMILESCCCN(CCC)CC(=O)Nc1ccc(Nc2ncc3cc([N+](=O)[O-])ccc3n2)cc1Cl
InChIInChI=1S/C22H25ClN6O3/c1-3-9-28(10-4-2)14-21(30)26-20-7-5-16(12-18(20)23)25-22-24-13-15-11-17(29(31)32)6-8-19(15)27-22/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,26,30)(H,24,25,27)
InChIKeyIODSEOWGFGRSES-UHFFFAOYSA-N
XLogP5.00
TPSA113.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-[[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222930
2-(dibutylamino)-N-(2,4-dichlorophenyl)acetamide
CID 18870877
N-(2-chloro-4-nitrophenyl)heptanamide
CID 3321854
4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid
CID 119134576
N-(2-chloro-4-nitrophenyl)-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]acetamide
CID 126829500
N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide
CID 43218215
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide
CID 4968627
N-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 111336322
N-(2-chloro-4-nitrophenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108792492
2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
CID 8901305
N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide
CID 11043415
N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide
CID 108795459

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(6-nitroquinazolin-2-yl)amino]phenyl]-2-(dipropylamino)acetamide?
The IUPAC name of N-[2-chloro-4-[(6-nitroquinazolin-2-yl)amino]phenyl]-2-(dipropylamino)acetamide (CID 141334727) is N-[2-chloro-4-[(6-nitroquinazolin-2-yl)amino]phenyl]-2-(dipropylamino)acetamide.
What is the SMILES notation for N-[2-chloro-4-[(6-nitroquinazolin-2-yl)amino]phenyl]-2-(dipropylamino)acetamide?
The canonical SMILES for N-[2-chloro-4-[(6-nitroquinazolin-2-yl)amino]phenyl]-2-(dipropylamino)acetamide is CCCN(CCC)CC(=O)Nc1ccc(Nc2ncc3cc([N+](=O)[O-])ccc3n2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[(6-nitroquinazolin-2-yl)amino]phenyl]-2-(dipropylamino)acetamide?
The InChIKey is IODSEOWGFGRSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O3/c1-3-9-28(10-4-2)14-21(30)26-20-7-5-16(12-18(20)23)25-22-24-13-15-11-17(29(31)32)6-8-19(15)27-22/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,26,30)(H,24,25,27).
What are the key properties of N-[2-chloro-4-[(6-nitroquinazolin-2-yl)amino]phenyl]-2-(dipropylamino)acetamide?
N-[2-chloro-4-[(6-nitroquinazolin-2-yl)amino]phenyl]-2-(dipropylamino)acetamide has a molecular weight of 456.93 g/mol, XLogP of 5.00, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(6-nitroquinazolin-2-yl)amino]phenyl]-2-(dipropylamino)acetamide is sourced from PubChem (CID 141334727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).