(3S)-1-[(4-aminoquinazolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide

C14H15N5O2 — CID 20680552

IUPAC(3S)-1-[(4-aminoquinazolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(Cc2ccc3ncnc(N)c3c2)C1=O
InChIInChI=1S/C14H15N5O2/c15-12-10-5-8(1-2-11(10)17-7-18-12)6-19-4-3-9(13(16)20)14(19)21/h1-2,5,7,9H,3-4,6H2,(H2,16,20)(H2,15,17,18)/t9-/m0/s1
InChIKeyPDVYNEUNQZYAJZ-VIFPVBQESA-N
MW285.31 g/mol
LogP0.05
Rot. Bonds3

About (3S)-1-[(4-aminoquinazolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide

(3S)-1-[(4-aminoquinazolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 20680552) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is (3S)-1-[(4-aminoquinazolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(4-aminoquinazolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID20680552
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name(3S)-1-[(4-aminoquinazolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(Cc2ccc3ncnc(N)c3c2)C1=O
InChIInChI=1S/C14H15N5O2/c15-12-10-5-8(1-2-11(10)17-7-18-12)6-19-4-3-9(13(16)20)14(19)21/h1-2,5,7,9H,3-4,6H2,(H2,16,20)(H2,15,17,18)/t9-/m0/s1
InChIKeyPDVYNEUNQZYAJZ-VIFPVBQESA-N
XLogP0.05
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-aminoquinazolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[(4-aminoquinazolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide (CID 20680552) is (3S)-1-[(4-aminoquinazolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(4-aminoquinazolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(4-aminoquinazolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide is NC(=O)[C@@H]1CCN(Cc2ccc3ncnc(N)c3c2)C1=O.
What is the InChIKey of (3S)-1-[(4-aminoquinazolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is PDVYNEUNQZYAJZ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15N5O2/c15-12-10-5-8(1-2-11(10)17-7-18-12)6-19-4-3-9(13(16)20)14(19)21/h1-2,5,7,9H,3-4,6H2,(H2,16,20)(H2,15,17,18)/t9-/m0/s1.
What are the key properties of (3S)-1-[(4-aminoquinazolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide?
(3S)-1-[(4-aminoquinazolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-aminoquinazolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 20680552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).