7-(oxolan-3-yloxy)-4-N-(4-phenoxyphenyl)quinazoline-4,6-diamine

C24H22N4O3 — CID 123985155

IUPAC7-(oxolan-3-yloxy)-4-N-(4-phenoxyphenyl)quinazoline-4,6-diamine
SMILESNc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cc1OC1CCOC1
InChIInChI=1S/C24H22N4O3/c25-21-12-20-22(13-23(21)31-19-10-11-29-14-19)26-15-27-24(20)28-16-6-8-18(9-7-16)30-17-4-2-1-3-5-17/h1-9,12-13,15,19H,10-11,14,25H2,(H,26,27,28)
InChIKeyZCSKTPLVWNUGEH-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.92
Rot. Bonds6

About 7-(oxolan-3-yloxy)-4-N-(4-phenoxyphenyl)quinazoline-4,6-diamine

7-(oxolan-3-yloxy)-4-N-(4-phenoxyphenyl)quinazoline-4,6-diamine (PubChem CID 123985155) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 7-(oxolan-3-yloxy)-4-N-(4-phenoxyphenyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name7-(oxolan-3-yloxy)-4-N-(4-phenoxyphenyl)quinazoline-4,6-diamine
PubChem CID123985155
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name7-(oxolan-3-yloxy)-4-N-(4-phenoxyphenyl)quinazoline-4,6-diamine
SMILESNc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cc1OC1CCOC1
InChIInChI=1S/C24H22N4O3/c25-21-12-20-22(13-23(21)31-19-10-11-29-14-19)26-15-27-24(20)28-16-6-8-18(9-7-16)30-17-4-2-1-3-5-17/h1-9,12-13,15,19H,10-11,14,25H2,(H,26,27,28)
InChIKeyZCSKTPLVWNUGEH-UHFFFAOYSA-N
XLogP4.92
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine
CID 164962336
N-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
CID 143534857
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
CID 10216011
7-(oxolan-3-yloxy)quinazolin-4-amine
CID 150616160
N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine
CID 24743956
N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]formamide
CID 154631182
6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 54010523
1-amino-3-[4-(3-chloro-4-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]urea
CID 174996184
4-N-(3-chloro-4-fluorophenyl)-7-[(3S)-oxolan-3-yl]oxy-6-N-piperidin-4-ylquinazoline-4,6-diamine
CID 122422259
3-[4-(3-ethynylanilino)-7-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]oxypropan-1-ol
CID 163593949
2-bromo-1-[4-(4-fluoro-3-methylanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]ethanone
CID 121464009
7-methyl-6-nitro-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 167668769

Frequently Asked Questions

What is the IUPAC name of 7-(oxolan-3-yloxy)-4-N-(4-phenoxyphenyl)quinazoline-4,6-diamine?
The IUPAC name of 7-(oxolan-3-yloxy)-4-N-(4-phenoxyphenyl)quinazoline-4,6-diamine (CID 123985155) is 7-(oxolan-3-yloxy)-4-N-(4-phenoxyphenyl)quinazoline-4,6-diamine.
What is the SMILES notation for 7-(oxolan-3-yloxy)-4-N-(4-phenoxyphenyl)quinazoline-4,6-diamine?
The canonical SMILES for 7-(oxolan-3-yloxy)-4-N-(4-phenoxyphenyl)quinazoline-4,6-diamine is Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cc1OC1CCOC1.
What is the InChIKey of 7-(oxolan-3-yloxy)-4-N-(4-phenoxyphenyl)quinazoline-4,6-diamine?
The InChIKey is ZCSKTPLVWNUGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c25-21-12-20-22(13-23(21)31-19-10-11-29-14-19)26-15-27-24(20)28-16-6-8-18(9-7-16)30-17-4-2-1-3-5-17/h1-9,12-13,15,19H,10-11,14,25H2,(H,26,27,28).
What are the key properties of 7-(oxolan-3-yloxy)-4-N-(4-phenoxyphenyl)quinazoline-4,6-diamine?
7-(oxolan-3-yloxy)-4-N-(4-phenoxyphenyl)quinazoline-4,6-diamine has a molecular weight of 414.47 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxolan-3-yloxy)-4-N-(4-phenoxyphenyl)quinazoline-4,6-diamine is sourced from PubChem (CID 123985155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).