3-[(3,4-dichlorophenyl)methyl]-1-propan-2-ylquinazoline-2,4-dione

C18H16Cl2N2O2 — CID 57069441

IUPAC3-[(3,4-dichlorophenyl)methyl]-1-propan-2-ylquinazoline-2,4-dione
SMILESCC(C)n1c(=O)n(Cc2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21
InChIInChI=1S/C18H16Cl2N2O2/c1-11(2)22-16-6-4-3-5-13(16)17(23)21(18(22)24)10-12-7-8-14(19)15(20)9-12/h3-9,11H,10H2,1-2H3
InChIKeyFAQUHXJGVYQJOV-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.10
Rot. Bonds3

About 3-[(3,4-dichlorophenyl)methyl]-1-propan-2-ylquinazoline-2,4-dione

3-[(3,4-dichlorophenyl)methyl]-1-propan-2-ylquinazoline-2,4-dione (PubChem CID 57069441) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methyl]-1-propan-2-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methyl]-1-propan-2-ylquinazoline-2,4-dione
PubChem CID57069441
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name3-[(3,4-dichlorophenyl)methyl]-1-propan-2-ylquinazoline-2,4-dione
SMILESCC(C)n1c(=O)n(Cc2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21
InChIInChI=1S/C18H16Cl2N2O2/c1-11(2)22-16-6-4-3-5-13(16)17(23)21(18(22)24)10-12-7-8-14(19)15(20)9-12/h3-9,11H,10H2,1-2H3
InChIKeyFAQUHXJGVYQJOV-UHFFFAOYSA-N
XLogP4.10
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17159912
3-[(3,4-dichlorophenyl)methyl]-1-[2-(diethylamino)ethyl]-2-iminoquinazolin-4-one
CID 23791451
1-[(3,4-dichlorophenyl)methyl]-2-methylindole-3-carbaldehyde
CID 879291
3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 15988071
3-[(3,4-dichlorophenyl)methyl]-2-imino-1-(2-piperidin-1-ylethyl)quinazolin-4-one
CID 23856270
6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438165
3-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569534
3,7-dibenzyl-1-[(3,4-dichlorophenyl)methyl]purine-2,6-dione
CID 3974517
1-[(3,4-dichlorophenyl)methyl]-2-methylindole
CID 63812577
3-[(3,4-dichlorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione
CID 79785714
3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione
CID 118499634

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-1-propan-2-ylquinazoline-2,4-dione?
The IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-1-propan-2-ylquinazoline-2,4-dione (CID 57069441) is 3-[(3,4-dichlorophenyl)methyl]-1-propan-2-ylquinazoline-2,4-dione.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methyl]-1-propan-2-ylquinazoline-2,4-dione?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methyl]-1-propan-2-ylquinazoline-2,4-dione is CC(C)n1c(=O)n(Cc2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methyl]-1-propan-2-ylquinazoline-2,4-dione?
The InChIKey is FAQUHXJGVYQJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-11(2)22-16-6-4-3-5-13(16)17(23)21(18(22)24)10-12-7-8-14(19)15(20)9-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 3-[(3,4-dichlorophenyl)methyl]-1-propan-2-ylquinazoline-2,4-dione?
3-[(3,4-dichlorophenyl)methyl]-1-propan-2-ylquinazoline-2,4-dione has a molecular weight of 363.24 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methyl]-1-propan-2-ylquinazoline-2,4-dione is sourced from PubChem (CID 57069441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).