1-[[4-fluoro-3-[(3R)-3-methyl-4-propylpiperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione

C24H27FN4O3 — CID 122706712

IUPAC1-[[4-fluoro-3-[(3R)-3-methyl-4-propylpiperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione
SMILESCCCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@H]1C
InChIInChI=1S/C24H27FN4O3/c1-3-10-27-11-12-28(14-16(27)2)23(31)19-13-17(8-9-20(19)25)15-29-21-7-5-4-6-18(21)22(30)26-24(29)32/h4-9,13,16H,3,10-12,14-15H2,1-2H3,(H,26,30,32)/t16-/m1/s1
InChIKeyLVZZNRAHJDTKAL-MRXNPFEDSA-N
MW438.50 g/mol
LogP2.43
Rot. Bonds5

About 1-[[4-fluoro-3-[(3R)-3-methyl-4-propylpiperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione

1-[[4-fluoro-3-[(3R)-3-methyl-4-propylpiperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione (PubChem CID 122706712) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 1-[[4-fluoro-3-[(3R)-3-methyl-4-propylpiperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[[4-fluoro-3-[(3R)-3-methyl-4-propylpiperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione
PubChem CID122706712
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name1-[[4-fluoro-3-[(3R)-3-methyl-4-propylpiperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione
SMILESCCCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@H]1C
InChIInChI=1S/C24H27FN4O3/c1-3-10-27-11-12-28(14-16(27)2)23(31)19-13-17(8-9-20(19)25)15-29-21-7-5-4-6-18(21)22(30)26-24(29)32/h4-9,13,16H,3,10-12,14-15H2,1-2H3,(H,26,30,32)/t16-/m1/s1
InChIKeyLVZZNRAHJDTKAL-MRXNPFEDSA-N
XLogP2.43
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-fluoro-3-[(3R)-3-methyl-4-propylpiperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione?
The IUPAC name of 1-[[4-fluoro-3-[(3R)-3-methyl-4-propylpiperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione (CID 122706712) is 1-[[4-fluoro-3-[(3R)-3-methyl-4-propylpiperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[[4-fluoro-3-[(3R)-3-methyl-4-propylpiperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[[4-fluoro-3-[(3R)-3-methyl-4-propylpiperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione is CCCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)C[C@H]1C.
What is the InChIKey of 1-[[4-fluoro-3-[(3R)-3-methyl-4-propylpiperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione?
The InChIKey is LVZZNRAHJDTKAL-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-3-10-27-11-12-28(14-16(27)2)23(31)19-13-17(8-9-20(19)25)15-29-21-7-5-4-6-18(21)22(30)26-24(29)32/h4-9,13,16H,3,10-12,14-15H2,1-2H3,(H,26,30,32)/t16-/m1/s1.
What are the key properties of 1-[[4-fluoro-3-[(3R)-3-methyl-4-propylpiperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione?
1-[[4-fluoro-3-[(3R)-3-methyl-4-propylpiperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione has a molecular weight of 438.50 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-fluoro-3-[(3R)-3-methyl-4-propylpiperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione is sourced from PubChem (CID 122706712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).