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

C21H23N5O — CID 1401946

IUPAC7,7-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-6,8-dihydroquinazolin-5-one
SMILESCc1cc(C)c2nc(Nc3ncc4c(n3)CC(C)(C)CC4=O)nc(C)c2c1
InChIInChI=1S/C21H23N5O/c1-11-6-12(2)18-14(7-11)13(3)23-20(25-18)26-19-22-10-15-16(24-19)8-21(4,5)9-17(15)27/h6-7,10H,8-9H2,1-5H3,(H,22,23,24,25,26)
InChIKeyCHYOYVRKCHRMQM-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.24
Rot. Bonds2

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

7,7-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-6,8-dihydroquinazolin-5-one (PubChem CID 1401946) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 7,7-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-6,8-dihydroquinazolin-5-one
PubChem CID1401946
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name7,7-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-6,8-dihydroquinazolin-5-one
SMILESCc1cc(C)c2nc(Nc3ncc4c(n3)CC(C)(C)CC4=O)nc(C)c2c1
InChIInChI=1S/C21H23N5O/c1-11-6-12(2)18-14(7-11)13(3)23-20(25-18)26-19-22-10-15-16(24-19)8-21(4,5)9-17(15)27/h6-7,10H,8-9H2,1-5H3,(H,22,23,24,25,26)
InChIKeyCHYOYVRKCHRMQM-UHFFFAOYSA-N
XLogP4.24
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-6,8-dihydroquinazolin-5-one?
The IUPAC name of 7,7-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-6,8-dihydroquinazolin-5-one (CID 1401946) is 7,7-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 7,7-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 7,7-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-6,8-dihydroquinazolin-5-one is Cc1cc(C)c2nc(Nc3ncc4c(n3)CC(C)(C)CC4=O)nc(C)c2c1.
What is the InChIKey of 7,7-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-6,8-dihydroquinazolin-5-one?
The InChIKey is CHYOYVRKCHRMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-11-6-12(2)18-14(7-11)13(3)23-20(25-18)26-19-22-10-15-16(24-19)8-21(4,5)9-17(15)27/h6-7,10H,8-9H2,1-5H3,(H,22,23,24,25,26).
What are the key properties of 7,7-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-6,8-dihydroquinazolin-5-one?
7,7-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-6,8-dihydroquinazolin-5-one has a molecular weight of 361.45 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 1401946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).