4-N-[2-(4-prop-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine

C19H20N4O — CID 509558

IUPAC4-N-[2-(4-prop-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESC=CCOc1ccc(CCNc2ncnc3ccc(N)cc23)cc1
InChIInChI=1S/C19H20N4O/c1-2-11-24-16-6-3-14(4-7-16)9-10-21-19-17-12-15(20)5-8-18(17)22-13-23-19/h2-8,12-13H,1,9-11,20H2,(H,21,22,23)
InChIKeyPSNULQIIRFVZQR-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.43
Rot. Bonds7

About 4-N-[2-(4-prop-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine

4-N-[2-(4-prop-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine (PubChem CID 509558) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-N-[2-(4-prop-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(4-prop-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine
PubChem CID509558
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-N-[2-(4-prop-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESC=CCOc1ccc(CCNc2ncnc3ccc(N)cc23)cc1
InChIInChI=1S/C19H20N4O/c1-2-11-24-16-6-3-14(4-7-16)9-10-21-19-17-12-15(20)5-8-18(17)22-13-23-19/h2-8,12-13H,1,9-11,20H2,(H,21,22,23)
InChIKeyPSNULQIIRFVZQR-UHFFFAOYSA-N
XLogP3.43
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-N-[2-(4-prop-2-enoxyphenyl)ethyl]quinazoline-4,6-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

Icotinib
CID 22024915
Verubulin
CID 11414799
Zotiraciclib
CID 16739650
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
Evp4593
CID 509554
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
CID 447021
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
4-Methoxy-2-(4-propoxyphenyl)quinazoline
CID 1612038

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-prop-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[2-(4-prop-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine (CID 509558) is 4-N-[2-(4-prop-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[2-(4-prop-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[2-(4-prop-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine is C=CCOc1ccc(CCNc2ncnc3ccc(N)cc23)cc1.
What is the InChIKey of 4-N-[2-(4-prop-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine?
The InChIKey is PSNULQIIRFVZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-11-24-16-6-3-14(4-7-16)9-10-21-19-17-12-15(20)5-8-18(17)22-13-23-19/h2-8,12-13H,1,9-11,20H2,(H,21,22,23).
What are the key properties of 4-N-[2-(4-prop-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine?
4-N-[2-(4-prop-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine has a molecular weight of 320.40 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-prop-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine is sourced from PubChem (CID 509558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).