7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine

C15H19N5O4 — CID 141038732

IUPAC7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine
SMILESNc1ncnc2cc(OCCCN3CCOCC3)c([N+](=O)[O-])cc12
InChIInChI=1S/C15H19N5O4/c16-15-11-8-13(20(21)22)14(9-12(11)17-10-18-15)24-5-1-2-19-3-6-23-7-4-19/h8-10H,1-7H2,(H2,16,17,18)
InChIKeyOWNZPAZKNISHOX-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.22
Rot. Bonds6

About 7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine

7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine (PubChem CID 141038732) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is 7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine.

Molecular Properties

Compound Name7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine
PubChem CID141038732
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine
SMILESNc1ncnc2cc(OCCCN3CCOCC3)c([N+](=O)[O-])cc12
InChIInChI=1S/C15H19N5O4/c16-15-11-8-13(20(21)22)14(9-12(11)17-10-18-15)24-5-1-2-19-3-6-23-7-4-19/h8-10H,1-7H2,(H2,16,17,18)
InChIKeyOWNZPAZKNISHOX-UHFFFAOYSA-N
XLogP1.22
TPSA116.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-nitrophenoxy)propyl]morpholine
CID 2232477
4-(3-morpholin-4-ylpropoxy)-2-nitroaniline
CID 142691529
6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 22649262
4-[3-[4-(1,3-benzothiazol-2-yl)-2-nitrophenoxy]propyl]morpholine
CID 141407884
2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol
CID 141094981
6-amino-7-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one
CID 154256825
4-bromo-5-(2-morpholin-4-ylethoxy)-2-nitroaniline
CID 168991995
N-(5-tert-butyl-2-nitroselenophen-3-yl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 86698283
2-(3-morpholin-4-ylpropoxy)-6-nitrobenzoic acid
CID 175238425
7-N-ethyl-4-N-[[3-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine
CID 21465428
4-(2-morpholin-4-ylethoxy)-3-nitrobenzaldehyde
CID 23117913
2-methyl-5-(3-morpholin-4-ylpropoxy)aniline;4-[3-(4-methyl-3-nitrophenoxy)propyl]morpholine
CID 159360431

Frequently Asked Questions

What is the IUPAC name of 7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine?
The IUPAC name of 7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine (CID 141038732) is 7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine.
What is the SMILES notation for 7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine?
The canonical SMILES for 7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine is Nc1ncnc2cc(OCCCN3CCOCC3)c([N+](=O)[O-])cc12.
What is the InChIKey of 7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine?
The InChIKey is OWNZPAZKNISHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c16-15-11-8-13(20(21)22)14(9-12(11)17-10-18-15)24-5-1-2-19-3-6-23-7-4-19/h8-10H,1-7H2,(H2,16,17,18).
What are the key properties of 7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine?
7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine has a molecular weight of 333.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine is sourced from PubChem (CID 141038732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).