4-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol

C20H23N3O2 — CID 57339806

IUPAC4-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol
SMILESCC(C)Nc1nc(-c2ccco2)nc2ccc(C=CC(C)(C)O)cc12
InChIInChI=1S/C20H23N3O2/c1-13(2)21-18-15-12-14(9-10-20(3,4)24)7-8-16(15)22-19(23-18)17-6-5-11-25-17/h5-13,24H,1-4H3,(H,21,22,23)
InChIKeyINWQHHRLNZWEFG-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.49
Rot. Bonds5

About 4-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol

4-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol (PubChem CID 57339806) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol.

Molecular Properties

Compound Name4-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol
PubChem CID57339806
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol
SMILESCC(C)Nc1nc(-c2ccco2)nc2ccc(C=CC(C)(C)O)cc12
InChIInChI=1S/C20H23N3O2/c1-13(2)21-18-15-12-14(9-10-20(3,4)24)7-8-16(15)22-19(23-18)17-6-5-11-25-17/h5-13,24H,1-4H3,(H,21,22,23)
InChIKeyINWQHHRLNZWEFG-UHFFFAOYSA-N
XLogP4.49
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol?
The IUPAC name of 4-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol (CID 57339806) is 4-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol.
What is the SMILES notation for 4-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol?
The canonical SMILES for 4-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol is CC(C)Nc1nc(-c2ccco2)nc2ccc(C=CC(C)(C)O)cc12.
What is the InChIKey of 4-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol?
The InChIKey is INWQHHRLNZWEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13(2)21-18-15-12-14(9-10-20(3,4)24)7-8-16(15)22-19(23-18)17-6-5-11-25-17/h5-13,24H,1-4H3,(H,21,22,23).
What are the key properties of 4-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol?
4-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol has a molecular weight of 337.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol is sourced from PubChem (CID 57339806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).