N-(4-pyrrolidin-1-ylquinazolin-7-yl)oxolane-2-carboxamide

C17H20N4O2 — CID 53137402

IUPACN-(4-pyrrolidin-1-ylquinazolin-7-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(N3CCCC3)ncnc2c1)C1CCCO1
InChIInChI=1S/C17H20N4O2/c22-17(15-4-3-9-23-15)20-12-5-6-13-14(10-12)18-11-19-16(13)21-7-1-2-8-21/h5-6,10-11,15H,1-4,7-9H2,(H,20,22)
InChIKeyJGOZUDPXYRBRSY-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.35
Rot. Bonds3

About N-(4-pyrrolidin-1-ylquinazolin-7-yl)oxolane-2-carboxamide

N-(4-pyrrolidin-1-ylquinazolin-7-yl)oxolane-2-carboxamide (PubChem CID 53137402) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylquinazolin-7-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylquinazolin-7-yl)oxolane-2-carboxamide
PubChem CID53137402
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(4-pyrrolidin-1-ylquinazolin-7-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(N3CCCC3)ncnc2c1)C1CCCO1
InChIInChI=1S/C17H20N4O2/c22-17(15-4-3-9-23-15)20-12-5-6-13-14(10-12)18-11-19-16(13)21-7-1-2-8-21/h5-6,10-11,15H,1-4,7-9H2,(H,20,22)
InChIKeyJGOZUDPXYRBRSY-UHFFFAOYSA-N
XLogP2.35
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylquinazolin-7-yl)oxolane-2-carboxamide?
The IUPAC name of N-(4-pyrrolidin-1-ylquinazolin-7-yl)oxolane-2-carboxamide (CID 53137402) is N-(4-pyrrolidin-1-ylquinazolin-7-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylquinazolin-7-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylquinazolin-7-yl)oxolane-2-carboxamide is O=C(Nc1ccc2c(N3CCCC3)ncnc2c1)C1CCCO1.
What is the InChIKey of N-(4-pyrrolidin-1-ylquinazolin-7-yl)oxolane-2-carboxamide?
The InChIKey is JGOZUDPXYRBRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(15-4-3-9-23-15)20-12-5-6-13-14(10-12)18-11-19-16(13)21-7-1-2-8-21/h5-6,10-11,15H,1-4,7-9H2,(H,20,22).
What are the key properties of N-(4-pyrrolidin-1-ylquinazolin-7-yl)oxolane-2-carboxamide?
N-(4-pyrrolidin-1-ylquinazolin-7-yl)oxolane-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylquinazolin-7-yl)oxolane-2-carboxamide is sourced from PubChem (CID 53137402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).