8-methyl-4-(3-prop-2-enoxypyrrolidin-1-yl)quinazoline

C16H19N3O — CID 133465474

IUPAC8-methyl-4-(3-prop-2-enoxypyrrolidin-1-yl)quinazoline
SMILESC=CCOC1CCN(c2ncnc3c(C)cccc23)C1
InChIInChI=1S/C16H19N3O/c1-3-9-20-13-7-8-19(10-13)16-14-6-4-5-12(2)15(14)17-11-18-16/h3-6,11,13H,1,7-10H2,2H3
InChIKeyUHZIHPIITNANQN-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.72
Rot. Bonds4

About 8-methyl-4-(3-prop-2-enoxypyrrolidin-1-yl)quinazoline

8-methyl-4-(3-prop-2-enoxypyrrolidin-1-yl)quinazoline (PubChem CID 133465474) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 8-methyl-4-(3-prop-2-enoxypyrrolidin-1-yl)quinazoline.

Molecular Properties

Compound Name8-methyl-4-(3-prop-2-enoxypyrrolidin-1-yl)quinazoline
PubChem CID133465474
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name8-methyl-4-(3-prop-2-enoxypyrrolidin-1-yl)quinazoline
SMILESC=CCOC1CCN(c2ncnc3c(C)cccc23)C1
InChIInChI=1S/C16H19N3O/c1-3-9-20-13-7-8-19(10-13)16-14-6-4-5-12(2)15(14)17-11-18-16/h3-6,11,13H,1,7-10H2,2H3
InChIKeyUHZIHPIITNANQN-UHFFFAOYSA-N
XLogP2.72
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-(3-prop-2-enoxypyrrolidin-1-yl)quinazoline?
The IUPAC name of 8-methyl-4-(3-prop-2-enoxypyrrolidin-1-yl)quinazoline (CID 133465474) is 8-methyl-4-(3-prop-2-enoxypyrrolidin-1-yl)quinazoline.
What is the SMILES notation for 8-methyl-4-(3-prop-2-enoxypyrrolidin-1-yl)quinazoline?
The canonical SMILES for 8-methyl-4-(3-prop-2-enoxypyrrolidin-1-yl)quinazoline is C=CCOC1CCN(c2ncnc3c(C)cccc23)C1.
What is the InChIKey of 8-methyl-4-(3-prop-2-enoxypyrrolidin-1-yl)quinazoline?
The InChIKey is UHZIHPIITNANQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-9-20-13-7-8-19(10-13)16-14-6-4-5-12(2)15(14)17-11-18-16/h3-6,11,13H,1,7-10H2,2H3.
What are the key properties of 8-methyl-4-(3-prop-2-enoxypyrrolidin-1-yl)quinazoline?
8-methyl-4-(3-prop-2-enoxypyrrolidin-1-yl)quinazoline has a molecular weight of 269.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-(3-prop-2-enoxypyrrolidin-1-yl)quinazoline is sourced from PubChem (CID 133465474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).