(7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one

C19H19N5O — CID 29101578

IUPAC(7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(Nc2nc(C)c3ccccc3n2)nc2c1C(=O)C[C@@H](C)C2
InChIInChI=1S/C19H19N5O/c1-10-8-15-17(16(25)9-10)12(3)21-19(23-15)24-18-20-11(2)13-6-4-5-7-14(13)22-18/h4-7,10H,8-9H2,1-3H3,(H,20,21,22,23,24)/t10-/m0/s1
InChIKeyXDVWOTQWWHKOID-JTQLQIEISA-N
MW333.39 g/mol
LogP3.55
Rot. Bonds2

About (7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one

(7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 29101578) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is (7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID29101578
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name(7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(Nc2nc(C)c3ccccc3n2)nc2c1C(=O)C[C@@H](C)C2
InChIInChI=1S/C19H19N5O/c1-10-8-15-17(16(25)9-10)12(3)21-19(23-15)24-18-20-11(2)13-6-4-5-7-14(13)22-18/h4-7,10H,8-9H2,1-3H3,(H,20,21,22,23,24)/t10-/m0/s1
InChIKeyXDVWOTQWWHKOID-JTQLQIEISA-N
XLogP3.55
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one (CID 29101578) is (7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(Nc2nc(C)c3ccccc3n2)nc2c1C(=O)C[C@@H](C)C2.
What is the InChIKey of (7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is XDVWOTQWWHKOID-JTQLQIEISA-N. The full InChI is InChI=1S/C19H19N5O/c1-10-8-15-17(16(25)9-10)12(3)21-19(23-15)24-18-20-11(2)13-6-4-5-7-14(13)22-18/h4-7,10H,8-9H2,1-3H3,(H,20,21,22,23,24)/t10-/m0/s1.
What are the key properties of (7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one?
(7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 333.39 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 29101578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).