3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6,8-dimethyl-1H-quinazoline-2,4-dione

C24H26ClN3O2 — CID 18630939

IUPAC3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6,8-dimethyl-1H-quinazoline-2,4-dione
SMILESCc1cc(C)c2[nH]c(=O)n(CCCN3CC=C(c4ccc(Cl)cc4)CC3)c(=O)c2c1
InChIInChI=1S/C24H26ClN3O2/c1-16-14-17(2)22-21(15-16)23(29)28(24(30)26-22)11-3-10-27-12-8-19(9-13-27)18-4-6-20(25)7-5-18/h4-8,14-15H,3,9-13H2,1-2H3,(H,26,30)
InChIKeyBTRVBTQAXPBGGN-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.14
Rot. Bonds5

About 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6,8-dimethyl-1H-quinazoline-2,4-dione

3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6,8-dimethyl-1H-quinazoline-2,4-dione (PubChem CID 18630939) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6,8-dimethyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6,8-dimethyl-1H-quinazoline-2,4-dione
PubChem CID18630939
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6,8-dimethyl-1H-quinazoline-2,4-dione
SMILESCc1cc(C)c2[nH]c(=O)n(CCCN3CC=C(c4ccc(Cl)cc4)CC3)c(=O)c2c1
InChIInChI=1S/C24H26ClN3O2/c1-16-14-17(2)22-21(15-16)23(29)28(24(30)26-22)11-3-10-27-12-8-19(9-13-27)18-4-6-20(25)7-5-18/h4-8,14-15H,3,9-13H2,1-2H3,(H,26,30)
InChIKeyBTRVBTQAXPBGGN-UHFFFAOYSA-N
XLogP4.14
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6,8-dimethyl-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6,8-dimethyl-1H-quinazoline-2,4-dione (CID 18630939) is 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6,8-dimethyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6,8-dimethyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6,8-dimethyl-1H-quinazoline-2,4-dione is Cc1cc(C)c2[nH]c(=O)n(CCCN3CC=C(c4ccc(Cl)cc4)CC3)c(=O)c2c1.
What is the InChIKey of 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6,8-dimethyl-1H-quinazoline-2,4-dione?
The InChIKey is BTRVBTQAXPBGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-16-14-17(2)22-21(15-16)23(29)28(24(30)26-22)11-3-10-27-12-8-19(9-13-27)18-4-6-20(25)7-5-18/h4-8,14-15H,3,9-13H2,1-2H3,(H,26,30).
What are the key properties of 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6,8-dimethyl-1H-quinazoline-2,4-dione?
3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6,8-dimethyl-1H-quinazoline-2,4-dione has a molecular weight of 423.94 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6,8-dimethyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 18630939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).