2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one

C20H19N5O3 — CID 122362589

IUPAC2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one
SMILESCc1nc(NC2NC(=O)CC(c3ccccc3)N2)nc2cc3c(cc12)OCO3
InChIInChI=1S/C20H19N5O3/c1-11-13-7-16-17(28-10-27-16)8-15(13)23-19(21-11)25-20-22-14(9-18(26)24-20)12-5-3-2-4-6-12/h2-8,14,20,22H,9-10H2,1H3,(H,24,26)(H,21,23,25)
InChIKeyNXDJSRBRXMVAFU-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.21
Rot. Bonds3

About 2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one

2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one (PubChem CID 122362589) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one
PubChem CID122362589
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one
SMILESCc1nc(NC2NC(=O)CC(c3ccccc3)N2)nc2cc3c(cc12)OCO3
InChIInChI=1S/C20H19N5O3/c1-11-13-7-16-17(28-10-27-16)8-15(13)23-19(21-11)25-20-22-14(9-18(26)24-20)12-5-3-2-4-6-12/h2-8,14,20,22H,9-10H2,1H3,(H,24,26)(H,21,23,25)
InChIKeyNXDJSRBRXMVAFU-UHFFFAOYSA-N
XLogP2.21
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one?
The IUPAC name of 2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one (CID 122362589) is 2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one.
What is the SMILES notation for 2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one?
The canonical SMILES for 2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one is Cc1nc(NC2NC(=O)CC(c3ccccc3)N2)nc2cc3c(cc12)OCO3.
What is the InChIKey of 2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one?
The InChIKey is NXDJSRBRXMVAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-11-13-7-16-17(28-10-27-16)8-15(13)23-19(21-11)25-20-22-14(9-18(26)24-20)12-5-3-2-4-6-12/h2-8,14,20,22H,9-10H2,1H3,(H,24,26)(H,21,23,25).
What are the key properties of 2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one?
2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one has a molecular weight of 377.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one is sourced from PubChem (CID 122362589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).