7-N-ethyl-4-N-[[3-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine

C24H30N6O4 — CID 21465428

IUPAC7-N-ethyl-4-N-[[3-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine
SMILESCCNc1cc2ncnc(NCc3cccc(OCCCN4CCOCC4)c3)c2cc1[N+](=O)[O-]
InChIInChI=1S/C24H30N6O4/c1-2-25-22-15-21-20(14-23(22)30(31)32)24(28-17-27-21)26-16-18-5-3-6-19(13-18)34-10-4-7-29-8-11-33-12-9-29/h3,5-6,13-15,17,25H,2,4,7-12,16H2,1H3,(H,26,27,28)
InChIKeyRJEUZLWSZWMZGG-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.68
Rot. Bonds11

About 7-N-ethyl-4-N-[[3-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine

7-N-ethyl-4-N-[[3-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine (PubChem CID 21465428) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is 7-N-ethyl-4-N-[[3-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine.

Molecular Properties

Compound Name7-N-ethyl-4-N-[[3-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine
PubChem CID21465428
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC Name7-N-ethyl-4-N-[[3-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine
SMILESCCNc1cc2ncnc(NCc3cccc(OCCCN4CCOCC4)c3)c2cc1[N+](=O)[O-]
InChIInChI=1S/C24H30N6O4/c1-2-25-22-15-21-20(14-23(22)30(31)32)24(28-17-27-21)26-16-18-5-3-6-19(13-18)34-10-4-7-29-8-11-33-12-9-29/h3,5-6,13-15,17,25H,2,4,7-12,16H2,1H3,(H,26,27,28)
InChIKeyRJEUZLWSZWMZGG-UHFFFAOYSA-N
XLogP3.68
TPSA114.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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'}

Analyze 7-N-ethyl-4-N-[[3-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine with MolForge

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Related Compounds

1-[4-[2-[4-[[[7-(ethylamino)-6-nitroquinazolin-4-yl]amino]methyl]phenoxy]ethyl]piperazin-1-yl]ethanol
CID 67704111
7-N-ethyl-4-N-[(4-methylphenyl)methyl]-6-nitroquinazoline-4,7-diamine
CID 22921892
7-N-ethyl-4-N-[(4-fluorophenyl)methyl]-6-nitroquinazoline-4,7-diamine
CID 22921739
4-N,7-N-dibenzyl-6-nitroquinazoline-4,7-diamine
CID 22921781
7-N-ethyl-6-nitro-4-N-(thiophen-2-ylmethyl)quinazoline-4,7-diamine
CID 22921847
[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-nitrophenyl]-phenylmethanone
CID 52764738
7-N-ethyl-6-nitro-4-N-[(2-piperidin-1-ylphenyl)methyl]quinazoline-4,7-diamine
CID 23293097
2-[4-[[2-[[[7-(ethylamino)-6-nitroquinazolin-4-yl]amino]methyl]phenyl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 21465385
2-fluoro-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-nitroaniline
CID 48557266
7-N-ethyl-6-nitro-4-N-phenylquinazoline-4,7-diamine
CID 22921757
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-nitro-1,3-benzothiazol-2-amine
CID 56574077
4-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methyl]-7-N-ethyl-6-nitroquinazoline-4,7-diamine
CID 23293018

Frequently Asked Questions

What is the IUPAC name of 7-N-ethyl-4-N-[[3-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine?
The IUPAC name of 7-N-ethyl-4-N-[[3-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine (CID 21465428) is 7-N-ethyl-4-N-[[3-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine.
What is the SMILES notation for 7-N-ethyl-4-N-[[3-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine?
The canonical SMILES for 7-N-ethyl-4-N-[[3-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine is CCNc1cc2ncnc(NCc3cccc(OCCCN4CCOCC4)c3)c2cc1[N+](=O)[O-].
What is the InChIKey of 7-N-ethyl-4-N-[[3-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine?
The InChIKey is RJEUZLWSZWMZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-2-25-22-15-21-20(14-23(22)30(31)32)24(28-17-27-21)26-16-18-5-3-6-19(13-18)34-10-4-7-29-8-11-33-12-9-29/h3,5-6,13-15,17,25H,2,4,7-12,16H2,1H3,(H,26,27,28).
What are the key properties of 7-N-ethyl-4-N-[[3-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine?
7-N-ethyl-4-N-[[3-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine has a molecular weight of 466.54 g/mol, XLogP of 3.68, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-ethyl-4-N-[[3-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-nitroquinazoline-4,7-diamine is sourced from PubChem (CID 21465428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).