5-(4-chlorophenyl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione

C19H18ClN3O3 — CID 4891733

IUPAC5-(4-chlorophenyl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione
SMILESCn1c2c(c(=O)n(C)c1=O)C(c1ccc(Cl)cc1)C1=C(CCCC1=O)N2
InChIInChI=1S/C19H18ClN3O3/c1-22-17-16(18(25)23(2)19(22)26)14(10-6-8-11(20)9-7-10)15-12(21-17)4-3-5-13(15)24/h6-9,14,21H,3-5H2,1-2H3
InChIKeyVFBNPTZTAKXDGJ-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.30
Rot. Bonds1

About 5-(4-chlorophenyl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione

5-(4-chlorophenyl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione (PubChem CID 4891733) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione
PubChem CID4891733
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name5-(4-chlorophenyl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione
SMILESCn1c2c(c(=O)n(C)c1=O)C(c1ccc(Cl)cc1)C1=C(CCCC1=O)N2
InChIInChI=1S/C19H18ClN3O3/c1-22-17-16(18(25)23(2)19(22)26)14(10-6-8-11(20)9-7-10)15-12(21-17)4-3-5-13(15)24/h6-9,14,21H,3-5H2,1-2H3
InChIKeyVFBNPTZTAKXDGJ-UHFFFAOYSA-N
XLogP2.30
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione?
The IUPAC name of 5-(4-chlorophenyl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione (CID 4891733) is 5-(4-chlorophenyl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione.
What is the SMILES notation for 5-(4-chlorophenyl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione?
The canonical SMILES for 5-(4-chlorophenyl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione is Cn1c2c(c(=O)n(C)c1=O)C(c1ccc(Cl)cc1)C1=C(CCCC1=O)N2.
What is the InChIKey of 5-(4-chlorophenyl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione?
The InChIKey is VFBNPTZTAKXDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-22-17-16(18(25)23(2)19(22)26)14(10-6-8-11(20)9-7-10)15-12(21-17)4-3-5-13(15)24/h6-9,14,21H,3-5H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione?
5-(4-chlorophenyl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione has a molecular weight of 371.82 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione is sourced from PubChem (CID 4891733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).