4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine

C20H24N4O4 — CID 171420006

IUPAC4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine
SMILESCOCCOc1cc2ncnc(Nc3ccc(N)cc3)c2cc1OCCOC
InChIInChI=1S/C20H24N4O4/c1-25-7-9-27-18-11-16-17(12-19(18)28-10-8-26-2)22-13-23-20(16)24-15-5-3-14(21)4-6-15/h3-6,11-13H,7-10,21H2,1-2H3,(H,22,23,24)
InChIKeyNSTLGPQMKUEIOZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.01
Rot. Bonds10

About 4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine

4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine (PubChem CID 171420006) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine
PubChem CID171420006
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine
SMILESCOCCOc1cc2ncnc(Nc3ccc(N)cc3)c2cc1OCCOC
InChIInChI=1S/C20H24N4O4/c1-25-7-9-27-18-11-16-17(12-19(18)28-10-8-26-2)22-13-23-20(16)24-15-5-3-14(21)4-6-15/h3-6,11-13H,7-10,21H2,1-2H3,(H,22,23,24)
InChIKeyNSTLGPQMKUEIOZ-UHFFFAOYSA-N
XLogP3.01
TPSA100.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 139073723
6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine
CID 141410537
[[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-hydroxyphosphoryl]methylphosphonic acid
CID 10301892
tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate
CID 171419876
6-(2-ethoxyethoxy)-N-(4-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine
CID 143713379
N-(3-tert-butylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;ethane
CID 142379522
N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-(2-(111C)methoxyethoxy)quinazolin-4-amine
CID 44625620
N-(1-adamantyl)-4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]benzamide
CID 127042644
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;silver
CID 175128959
N-[3-(2-fluoroethynyl)phenyl]-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 71183994
O-[2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethyl]hydroxylamine
CID 154688486
O-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]hydroxylamine
CID 155055619

Frequently Asked Questions

What is the IUPAC name of 4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine?
The IUPAC name of 4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine (CID 171420006) is 4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine is COCCOc1cc2ncnc(Nc3ccc(N)cc3)c2cc1OCCOC.
What is the InChIKey of 4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine?
The InChIKey is NSTLGPQMKUEIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-25-7-9-27-18-11-16-17(12-19(18)28-10-8-26-2)22-13-23-20(16)24-15-5-3-14(21)4-6-15/h3-6,11-13H,7-10,21H2,1-2H3,(H,22,23,24).
What are the key properties of 4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine?
4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine has a molecular weight of 384.44 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine is sourced from PubChem (CID 171420006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).