N-prop-2-enyl-2-pyrrolidin-1-ylquinazolin-4-amine

C15H18N4 — CID 2243399

IUPACN-prop-2-enyl-2-pyrrolidin-1-ylquinazolin-4-amine
SMILESC=CCNc1nc(N2CCCC2)nc2ccccc12
InChIInChI=1S/C15H18N4/c1-2-9-16-14-12-7-3-4-8-13(12)17-15(18-14)19-10-5-6-11-19/h2-4,7-8H,1,5-6,9-11H2,(H,16,17,18)
InChIKeyZHBZKSPOQFXRSY-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.83
Rot. Bonds4

About N-prop-2-enyl-2-pyrrolidin-1-ylquinazolin-4-amine

N-prop-2-enyl-2-pyrrolidin-1-ylquinazolin-4-amine (PubChem CID 2243399) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-prop-2-enyl-2-pyrrolidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-prop-2-enyl-2-pyrrolidin-1-ylquinazolin-4-amine
PubChem CID2243399
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-prop-2-enyl-2-pyrrolidin-1-ylquinazolin-4-amine
SMILESC=CCNc1nc(N2CCCC2)nc2ccccc12
InChIInChI=1S/C15H18N4/c1-2-9-16-14-12-7-3-4-8-13(12)17-15(18-14)19-10-5-6-11-19/h2-4,7-8H,1,5-6,9-11H2,(H,16,17,18)
InChIKeyZHBZKSPOQFXRSY-UHFFFAOYSA-N
XLogP2.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
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 N-prop-2-enyl-2-pyrrolidin-1-ylquinazolin-4-amine?
The IUPAC name of N-prop-2-enyl-2-pyrrolidin-1-ylquinazolin-4-amine (CID 2243399) is N-prop-2-enyl-2-pyrrolidin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-prop-2-enyl-2-pyrrolidin-1-ylquinazolin-4-amine?
The canonical SMILES for N-prop-2-enyl-2-pyrrolidin-1-ylquinazolin-4-amine is C=CCNc1nc(N2CCCC2)nc2ccccc12.
What is the InChIKey of N-prop-2-enyl-2-pyrrolidin-1-ylquinazolin-4-amine?
The InChIKey is ZHBZKSPOQFXRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-9-16-14-12-7-3-4-8-13(12)17-15(18-14)19-10-5-6-11-19/h2-4,7-8H,1,5-6,9-11H2,(H,16,17,18).
What are the key properties of N-prop-2-enyl-2-pyrrolidin-1-ylquinazolin-4-amine?
N-prop-2-enyl-2-pyrrolidin-1-ylquinazolin-4-amine has a molecular weight of 254.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-pyrrolidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 2243399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).