2-(3,5-dichloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

C15H13Cl2N3O — CID 79784088

IUPAC2-(3,5-dichloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(-c3ncc(Cl)cc3Cl)nc2C1
InChIInChI=1S/C15H13Cl2N3O/c1-15(2)4-11-9(12(21)5-15)7-19-14(20-11)13-10(17)3-8(16)6-18-13/h3,6-7H,4-5H2,1-2H3
InChIKeyXRYDPPNTPRGFLI-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.00
Rot. Bonds1

About 2-(3,5-dichloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

2-(3,5-dichloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 79784088) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-(3,5-dichloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID79784088
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-(3,5-dichloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(-c3ncc(Cl)cc3Cl)nc2C1
InChIInChI=1S/C15H13Cl2N3O/c1-15(2)4-11-9(12(21)5-15)7-19-14(20-11)13-10(17)3-8(16)6-18-13/h3,6-7H,4-5H2,1-2H3
InChIKeyXRYDPPNTPRGFLI-UHFFFAOYSA-N
XLogP4.00
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 79784088) is 2-(3,5-dichloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-(3,5-dichloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-(3,5-dichloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is CC1(C)CC(=O)c2cnc(-c3ncc(Cl)cc3Cl)nc2C1.
What is the InChIKey of 2-(3,5-dichloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is XRYDPPNTPRGFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-15(2)4-11-9(12(21)5-15)7-19-14(20-11)13-10(17)3-8(16)6-18-13/h3,6-7H,4-5H2,1-2H3.
What are the key properties of 2-(3,5-dichloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
2-(3,5-dichloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 322.20 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 79784088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).