N,N-dimethyl-4-[2-[(6-nitroquinazolin-4-yl)amino]ethyl]benzamide

C19H19N5O3 — CID 71378888

IUPACN,N-dimethyl-4-[2-[(6-nitroquinazolin-4-yl)amino]ethyl]benzamide
SMILESCN(C)C(=O)c1ccc(CCNc2ncnc3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C19H19N5O3/c1-23(2)19(25)14-5-3-13(4-6-14)9-10-20-18-16-11-15(24(26)27)7-8-17(16)21-12-22-18/h3-8,11-12H,9-10H2,1-2H3,(H,20,21,22)
InChIKeyXNDWKAKNDJUTJT-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.89
Rot. Bonds6

About N,N-dimethyl-4-[2-[(6-nitroquinazolin-4-yl)amino]ethyl]benzamide

N,N-dimethyl-4-[2-[(6-nitroquinazolin-4-yl)amino]ethyl]benzamide (PubChem CID 71378888) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[(6-nitroquinazolin-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[(6-nitroquinazolin-4-yl)amino]ethyl]benzamide
PubChem CID71378888
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN,N-dimethyl-4-[2-[(6-nitroquinazolin-4-yl)amino]ethyl]benzamide
SMILESCN(C)C(=O)c1ccc(CCNc2ncnc3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C19H19N5O3/c1-23(2)19(25)14-5-3-13(4-6-14)9-10-20-18-16-11-15(24(26)27)7-8-17(16)21-12-22-18/h3-8,11-12H,9-10H2,1-2H3,(H,20,21,22)
InChIKeyXNDWKAKNDJUTJT-UHFFFAOYSA-N
XLogP2.89
TPSA101.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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CID 9995195
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CID 130152
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CID 57340688
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CID 457757
CID 457757
CID 21080015
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CID 46869910
CID 46869910
CID 46937558
CID 46937558
CID 25138041
CID 25138041
CID 5328027
CID 5328027
CID 3234748
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CID 9934033
CID 9934033

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[(6-nitroquinazolin-4-yl)amino]ethyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[2-[(6-nitroquinazolin-4-yl)amino]ethyl]benzamide (CID 71378888) is N,N-dimethyl-4-[2-[(6-nitroquinazolin-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[2-[(6-nitroquinazolin-4-yl)amino]ethyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[2-[(6-nitroquinazolin-4-yl)amino]ethyl]benzamide is CN(C)C(=O)c1ccc(CCNc2ncnc3ccc([N+](=O)[O-])cc23)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-[(6-nitroquinazolin-4-yl)amino]ethyl]benzamide?
The InChIKey is XNDWKAKNDJUTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-23(2)19(25)14-5-3-13(4-6-14)9-10-20-18-16-11-15(24(26)27)7-8-17(16)21-12-22-18/h3-8,11-12H,9-10H2,1-2H3,(H,20,21,22).
What are the key properties of N,N-dimethyl-4-[2-[(6-nitroquinazolin-4-yl)amino]ethyl]benzamide?
N,N-dimethyl-4-[2-[(6-nitroquinazolin-4-yl)amino]ethyl]benzamide has a molecular weight of 365.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-[(6-nitroquinazolin-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 71378888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).