5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile

C15H13N5O3 — CID 146338206

IUPAC5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile
SMILESCc1nc2cc(C#N)cc(N)c2c(=O)n1[C@@H]1CCC(=O)NC1=O
InChIInChI=1S/C15H13N5O3/c1-7-18-10-5-8(6-16)4-9(17)13(10)15(23)20(7)11-2-3-12(21)19-14(11)22/h4-5,11H,2-3,17H2,1H3,(H,19,21,22)/t11-/m1/s1
InChIKeyNTMZVULXIMYDOB-LLVKDONJSA-N
MW311.30 g/mol
LogP0.14
Rot. Bonds1

About 5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile

5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile (PubChem CID 146338206) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile
PubChem CID146338206
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile
SMILESCc1nc2cc(C#N)cc(N)c2c(=O)n1[C@@H]1CCC(=O)NC1=O
InChIInChI=1S/C15H13N5O3/c1-7-18-10-5-8(6-16)4-9(17)13(10)15(23)20(7)11-2-3-12(21)19-14(11)22/h4-5,11H,2-3,17H2,1H3,(H,19,21,22)/t11-/m1/s1
InChIKeyNTMZVULXIMYDOB-LLVKDONJSA-N
XLogP0.14
TPSA130.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146338076
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
3-(7-bromo-2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146338228
3-(2-methyl-4-oxo-5-prop-1-ynylquinazolin-3-yl)piperidine-2,6-dione
CID 155178271
3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235686
3-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235872
3-[6-(aminomethyl)-2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-2,6-dione
CID 139536265
3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 68728143
(3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 164567289
3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 167418527
ethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 144585990
3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;4-[4-[[4-[[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]methyl]phenyl]methyl]piperazin-1-yl]-3-fluorobenzonitrile;3-fluoro-4-[4-[(4-formylphenyl)methyl]piperazin-1-yl]benzonitrile
CID 160543843

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile?
The IUPAC name of 5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile (CID 146338206) is 5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile.
What is the SMILES notation for 5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile?
The canonical SMILES for 5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile is Cc1nc2cc(C#N)cc(N)c2c(=O)n1[C@@H]1CCC(=O)NC1=O.
What is the InChIKey of 5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile?
The InChIKey is NTMZVULXIMYDOB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-7-18-10-5-8(6-16)4-9(17)13(10)15(23)20(7)11-2-3-12(21)19-14(11)22/h4-5,11H,2-3,17H2,1H3,(H,19,21,22)/t11-/m1/s1.
What are the key properties of 5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile?
5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile has a molecular weight of 311.30 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile is sourced from PubChem (CID 146338206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).