5-fluoro-4-[(3S)-3-phenylpiperazin-1-yl]quinazoline

C18H17FN4 — CID 97153563

IUPAC5-fluoro-4-[(3S)-3-phenylpiperazin-1-yl]quinazoline
SMILESFc1cccc2ncnc(N3CCN[C@@H](c4ccccc4)C3)c12
InChIInChI=1S/C18H17FN4/c19-14-7-4-8-15-17(14)18(22-12-21-15)23-10-9-20-16(11-23)13-5-2-1-3-6-13/h1-8,12,16,20H,9-11H2/t16-/m1/s1
InChIKeyNVQFKNPAQNZSLI-MRXNPFEDSA-N
MW308.36 g/mol
LogP2.92
Rot. Bonds2

About 5-fluoro-4-[(3S)-3-phenylpiperazin-1-yl]quinazoline

5-fluoro-4-[(3S)-3-phenylpiperazin-1-yl]quinazoline (PubChem CID 97153563) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-fluoro-4-[(3S)-3-phenylpiperazin-1-yl]quinazoline.

Molecular Properties

Compound Name5-fluoro-4-[(3S)-3-phenylpiperazin-1-yl]quinazoline
PubChem CID97153563
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name5-fluoro-4-[(3S)-3-phenylpiperazin-1-yl]quinazoline
SMILESFc1cccc2ncnc(N3CCN[C@@H](c4ccccc4)C3)c12
InChIInChI=1S/C18H17FN4/c19-14-7-4-8-15-17(14)18(22-12-21-15)23-10-9-20-16(11-23)13-5-2-1-3-6-13/h1-8,12,16,20H,9-11H2/t16-/m1/s1
InChIKeyNVQFKNPAQNZSLI-MRXNPFEDSA-N
XLogP2.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline
CID 143607812
1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane
CID 64944507
5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline
CID 72881279
1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine
CID 64924315
(3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide
CID 94519630
4-cyclopropyl-6-[(3S)-3-phenylpiperazin-1-yl]pyrimidine
CID 97145608
5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine
CID 16740447
1-(2,6-dibromophenyl)-3-phenylpiperazine
CID 107603858
5-fluoro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinazoline
CID 55853938
4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline
CID 60520728
[1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 56816106
1-chloro-3-phenylpiperazine
CID 18428014

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[(3S)-3-phenylpiperazin-1-yl]quinazoline?
The IUPAC name of 5-fluoro-4-[(3S)-3-phenylpiperazin-1-yl]quinazoline (CID 97153563) is 5-fluoro-4-[(3S)-3-phenylpiperazin-1-yl]quinazoline.
What is the SMILES notation for 5-fluoro-4-[(3S)-3-phenylpiperazin-1-yl]quinazoline?
The canonical SMILES for 5-fluoro-4-[(3S)-3-phenylpiperazin-1-yl]quinazoline is Fc1cccc2ncnc(N3CCN[C@@H](c4ccccc4)C3)c12.
What is the InChIKey of 5-fluoro-4-[(3S)-3-phenylpiperazin-1-yl]quinazoline?
The InChIKey is NVQFKNPAQNZSLI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17FN4/c19-14-7-4-8-15-17(14)18(22-12-21-15)23-10-9-20-16(11-23)13-5-2-1-3-6-13/h1-8,12,16,20H,9-11H2/t16-/m1/s1.
What are the key properties of 5-fluoro-4-[(3S)-3-phenylpiperazin-1-yl]quinazoline?
5-fluoro-4-[(3S)-3-phenylpiperazin-1-yl]quinazoline has a molecular weight of 308.36 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[(3S)-3-phenylpiperazin-1-yl]quinazoline is sourced from PubChem (CID 97153563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).