(7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

C19H24N5O+ — CID 7601684

IUPAC(7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@H](C)C2
InChIInChI=1S/C19H23N5O/c1-13-11-15-18(16(25)12-13)14(2)21-19(22-15)24-9-7-23(8-10-24)17-5-3-4-6-20-17/h3-6,13H,7-12H2,1-2H3/p+1/t13-/m1/s1
InChIKeyFFZFZQQFIGXFGJ-CYBMUJFWSA-O
MW338.44 g/mol
LogP1.69
Rot. Bonds2

About (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

(7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 7601684) has the molecular formula C19H24N5O+ and a molecular weight of 338.44 g/mol. Its IUPAC name is (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID7601684
Molecular FormulaC19H24N5O+
Molecular Weight338.44 g/mol
Exact Mass338.20
IUPAC Name(7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@H](C)C2
InChIInChI=1S/C19H23N5O/c1-13-11-15-18(16(25)12-13)14(2)21-19(22-15)24-9-7-23(8-10-24)17-5-3-4-6-20-17/h3-6,13H,7-12H2,1-2H3/p+1/t13-/m1/s1
InChIKeyFFZFZQQFIGXFGJ-CYBMUJFWSA-O
XLogP1.69
TPSA63.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 7601684) is (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@H](C)C2.
What is the InChIKey of (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is FFZFZQQFIGXFGJ-CYBMUJFWSA-O. The full InChI is InChI=1S/C19H23N5O/c1-13-11-15-18(16(25)12-13)14(2)21-19(22-15)24-9-7-23(8-10-24)17-5-3-4-6-20-17/h3-6,13H,7-12H2,1-2H3/p+1/t13-/m1/s1.
What are the key properties of (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
(7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 338.44 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 7601684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).