2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-6,8-dihydroquinazolin-5-one

C20H21N5O — CID 631488

IUPAC2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCc1ccc2nc(Nc3ncc4c(n3)CC(C)(C)CC4=O)nc(C)c2c1
InChIInChI=1S/C20H21N5O/c1-11-5-6-15-13(7-11)12(2)22-19(23-15)25-18-21-10-14-16(24-18)8-20(3,4)9-17(14)26/h5-7,10H,8-9H2,1-4H3,(H,21,22,23,24,25)
InChIKeyIIBLTCQPIQYFIA-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.94
Rot. Bonds2

About 2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-6,8-dihydroquinazolin-5-one

2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 631488) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID631488
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCc1ccc2nc(Nc3ncc4c(n3)CC(C)(C)CC4=O)nc(C)c2c1
InChIInChI=1S/C20H21N5O/c1-11-5-6-15-13(7-11)12(2)22-19(23-15)25-18-21-10-14-16(24-18)8-20(3,4)9-17(14)26/h5-7,10H,8-9H2,1-4H3,(H,21,22,23,24,25)
InChIKeyIIBLTCQPIQYFIA-UHFFFAOYSA-N
XLogP3.94
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 631488) is 2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-6,8-dihydroquinazolin-5-one is Cc1ccc2nc(Nc3ncc4c(n3)CC(C)(C)CC4=O)nc(C)c2c1.
What is the InChIKey of 2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is IIBLTCQPIQYFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-11-5-6-15-13(7-11)12(2)22-19(23-15)25-18-21-10-14-16(24-18)8-20(3,4)9-17(14)26/h5-7,10H,8-9H2,1-4H3,(H,21,22,23,24,25).
What are the key properties of 2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 347.42 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 631488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).