N-[3-(4-aminoquinazolin-6-yl)phenyl]oxolane-2-carboxamide

C19H18N4O2 — CID 90054810

IUPACN-[3-(4-aminoquinazolin-6-yl)phenyl]oxolane-2-carboxamide
SMILESNc1ncnc2ccc(-c3cccc(NC(=O)C4CCCO4)c3)cc12
InChIInChI=1S/C19H18N4O2/c20-18-15-10-13(6-7-16(15)21-11-22-18)12-3-1-4-14(9-12)23-19(24)17-5-2-8-25-17/h1,3-4,6-7,9-11,17H,2,5,8H2,(H,23,24)(H2,20,21,22)
InChIKeyNCSKFQUXKLKYBA-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.00
Rot. Bonds3

About N-[3-(4-aminoquinazolin-6-yl)phenyl]oxolane-2-carboxamide

N-[3-(4-aminoquinazolin-6-yl)phenyl]oxolane-2-carboxamide (PubChem CID 90054810) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[3-(4-aminoquinazolin-6-yl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-aminoquinazolin-6-yl)phenyl]oxolane-2-carboxamide
PubChem CID90054810
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[3-(4-aminoquinazolin-6-yl)phenyl]oxolane-2-carboxamide
SMILESNc1ncnc2ccc(-c3cccc(NC(=O)C4CCCO4)c3)cc12
InChIInChI=1S/C19H18N4O2/c20-18-15-10-13(6-7-16(15)21-11-22-18)12-3-1-4-14(9-12)23-19(24)17-5-2-8-25-17/h1,3-4,6-7,9-11,17H,2,5,8H2,(H,23,24)(H2,20,21,22)
InChIKeyNCSKFQUXKLKYBA-UHFFFAOYSA-N
XLogP3.00
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminoquinazolin-6-yl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(4-aminoquinazolin-6-yl)phenyl]oxolane-2-carboxamide (CID 90054810) is N-[3-(4-aminoquinazolin-6-yl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(4-aminoquinazolin-6-yl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(4-aminoquinazolin-6-yl)phenyl]oxolane-2-carboxamide is Nc1ncnc2ccc(-c3cccc(NC(=O)C4CCCO4)c3)cc12.
What is the InChIKey of N-[3-(4-aminoquinazolin-6-yl)phenyl]oxolane-2-carboxamide?
The InChIKey is NCSKFQUXKLKYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-18-15-10-13(6-7-16(15)21-11-22-18)12-3-1-4-14(9-12)23-19(24)17-5-2-8-25-17/h1,3-4,6-7,9-11,17H,2,5,8H2,(H,23,24)(H2,20,21,22).
What are the key properties of N-[3-(4-aminoquinazolin-6-yl)phenyl]oxolane-2-carboxamide?
N-[3-(4-aminoquinazolin-6-yl)phenyl]oxolane-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminoquinazolin-6-yl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 90054810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).