2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-5-one

C22H21N5O2 — CID 6460315

IUPAC2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC2c1ccccn1
InChIInChI=1S/C22H21N5O2/c1-22(2)11-15-18(16(28)12-22)19(14-8-5-6-10-23-14)26-20(24-15)27-21-25-13-7-3-4-9-17(13)29-21/h3-10,19H,11-12H2,1-2H3,(H2,24,25,26,27)
InChIKeyGDVZNNUXEGUATE-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.98
Rot. Bonds2

About 2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-5-one

2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-5-one (PubChem CID 6460315) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-5-one.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-5-one
PubChem CID6460315
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC2c1ccccn1
InChIInChI=1S/C22H21N5O2/c1-22(2)11-15-18(16(28)12-22)19(14-8-5-6-10-23-14)26-20(24-15)27-21-25-13-7-3-4-9-17(13)29-21/h3-10,19H,11-12H2,1-2H3,(H2,24,25,26,27)
InChIKeyGDVZNNUXEGUATE-UHFFFAOYSA-N
XLogP3.98
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-5-one with MolForge

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Related Compounds

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CID 22040407
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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-5-one?
The IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-5-one (CID 6460315) is 2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-5-one.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-5-one?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-5-one is CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC2c1ccccn1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-5-one?
The InChIKey is GDVZNNUXEGUATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-22(2)11-15-18(16(28)12-22)19(14-8-5-6-10-23-14)26-20(24-15)27-21-25-13-7-3-4-9-17(13)29-21/h3-10,19H,11-12H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-5-one?
2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-5-one has a molecular weight of 387.44 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-2-yl-1,4,6,8-tetrahydroquinazolin-5-one is sourced from PubChem (CID 6460315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).