N-(morpholin-2-ylmethyl)-6-nitroquinazolin-4-amine

C13H15N5O3 — CID 115324125

IUPACN-(morpholin-2-ylmethyl)-6-nitroquinazolin-4-amine
SMILESO=[N+]([O-])c1ccc2ncnc(NCC3CNCCO3)c2c1
InChIInChI=1S/C13H15N5O3/c19-18(20)9-1-2-12-11(5-9)13(17-8-16-12)15-7-10-6-14-3-4-21-10/h1-2,5,8,10,14H,3-4,6-7H2,(H,15,16,17)
InChIKeyINPNDWHFSUSNRT-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.94
Rot. Bonds4

About N-(morpholin-2-ylmethyl)-6-nitroquinazolin-4-amine

N-(morpholin-2-ylmethyl)-6-nitroquinazolin-4-amine (PubChem CID 115324125) has the molecular formula C13H15N5O3 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(morpholin-2-ylmethyl)-6-nitroquinazolin-4-amine.

Molecular Properties

Compound NameN-(morpholin-2-ylmethyl)-6-nitroquinazolin-4-amine
PubChem CID115324125
Molecular FormulaC13H15N5O3
Molecular Weight289.29 g/mol
Exact Mass289.12
IUPAC NameN-(morpholin-2-ylmethyl)-6-nitroquinazolin-4-amine
SMILESO=[N+]([O-])c1ccc2ncnc(NCC3CNCCO3)c2c1
InChIInChI=1S/C13H15N5O3/c19-18(20)9-1-2-12-11(5-9)13(17-8-16-12)15-7-10-6-14-3-4-21-10/h1-2,5,8,10,14H,3-4,6-7H2,(H,15,16,17)
InChIKeyINPNDWHFSUSNRT-UHFFFAOYSA-N
XLogP0.94
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.94
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

N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324200
3-[[(6-nitroquinazolin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66006571
2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide
CID 115324274
6-nitro-N-(thiolan-3-ylmethyl)quinazolin-4-amine
CID 107296771
N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine
CID 115324252
N-benzyl-6-nitroquinazolin-4-amine
CID 5328027
6-nitro-N-(thiophen-3-ylmethyl)quinazolin-4-amine
CID 64590260
6-nitro-N-(2-pyrrolidin-1-ylethyl)quinazolin-4-amine
CID 64588867
2-(hydroxymethyl)-2-[(6-nitroquinazolin-4-yl)amino]propane-1,3-diol
CID 107849416
2-[(6-nitroquinazolin-4-yl)amino]ethanesulfonamide
CID 64584909
4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324081
N-[(4S)-4-methoxypyrrolidin-3-yl]-6-nitroquinazolin-4-amine
CID 64589275

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-2-ylmethyl)-6-nitroquinazolin-4-amine?
The IUPAC name of N-(morpholin-2-ylmethyl)-6-nitroquinazolin-4-amine (CID 115324125) is N-(morpholin-2-ylmethyl)-6-nitroquinazolin-4-amine.
What is the SMILES notation for N-(morpholin-2-ylmethyl)-6-nitroquinazolin-4-amine?
The canonical SMILES for N-(morpholin-2-ylmethyl)-6-nitroquinazolin-4-amine is O=[N+]([O-])c1ccc2ncnc(NCC3CNCCO3)c2c1.
What is the InChIKey of N-(morpholin-2-ylmethyl)-6-nitroquinazolin-4-amine?
The InChIKey is INPNDWHFSUSNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c19-18(20)9-1-2-12-11(5-9)13(17-8-16-12)15-7-10-6-14-3-4-21-10/h1-2,5,8,10,14H,3-4,6-7H2,(H,15,16,17).
What are the key properties of N-(morpholin-2-ylmethyl)-6-nitroquinazolin-4-amine?
N-(morpholin-2-ylmethyl)-6-nitroquinazolin-4-amine has a molecular weight of 289.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-2-ylmethyl)-6-nitroquinazolin-4-amine is sourced from PubChem (CID 115324125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).