N-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)methyl]formamide

C10H13N3O2 — CID 145361714

IUPACN-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)methyl]formamide
SMILESO=CNCc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C10H13N3O2/c14-6-11-5-9-12-8-4-2-1-3-7(8)10(15)13-9/h6H,1-5H2,(H,11,14)(H,12,13,15)
InChIKeyPSJUVHSJOFJTBX-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.11
Rot. Bonds3

About N-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)methyl]formamide

N-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)methyl]formamide (PubChem CID 145361714) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)methyl]formamide
PubChem CID145361714
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)methyl]formamide
SMILESO=CNCc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C10H13N3O2/c14-6-11-5-9-12-8-4-2-1-3-7(8)10(15)13-9/h6H,1-5H2,(H,11,14)(H,12,13,15)
InChIKeyPSJUVHSJOFJTBX-UHFFFAOYSA-N
XLogP-0.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)methyl]formamide?
The IUPAC name of N-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)methyl]formamide (CID 145361714) is N-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)methyl]formamide.
What is the SMILES notation for N-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)methyl]formamide?
The canonical SMILES for N-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)methyl]formamide is O=CNCc1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of N-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)methyl]formamide?
The InChIKey is PSJUVHSJOFJTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-6-11-5-9-12-8-4-2-1-3-7(8)10(15)13-9/h6H,1-5H2,(H,11,14)(H,12,13,15).
What are the key properties of N-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)methyl]formamide?
N-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)methyl]formamide has a molecular weight of 207.23 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)methyl]formamide is sourced from PubChem (CID 145361714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).